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Anomalous variations of optical properties in the vicinity of level anti-crossing in InAs/GaAs conical quantum dot nanowire Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-13 Mohammad Reza Kazerani Vahdani, Fatemeh Rahimi
The present study focuses on the investigation of the linear and nonlinear optical properties corresponding to electronic transitions in the vicinity of Level Anti-Crossing (LAC) points from a theoretical perspective. The system under consideration is an InAs conical quantum dot embedded in an infinite GaAs nanowire. The special configuration of the system leads to repeatedly LAC points in the energy
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Facile fabrication and tunable electronic properties of Azure A chloride/Si heterojunction for photoelectrical application Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-11 E.F.M. El-Zaidia, A.A.A. Darwish, S.A. Al-Ghamdi, S. Alfadhli, Ahmed A. Abu Saleh, Munirah A.A. Alanazi, Alaa A. Bahamran, Taymour A. Hamdalla, Suhair A. Bani-Atta, H.A.M. Ali
In this study, the fabrication, structural, and photoelectrical properties of AZACl on Si heterojunction (AZACl/Si HJ) were examined. The morphology of the thin film of AZACl was analyzed using SEM, while XRD studied the crystal structure. The UV spectrophotometer displayed three distinct absorption regions at 194, 260, and 605 nm due to their complex chemical structure. The electrical characteristics
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Theoretical study on contact current density in the boundary of random rough surfaces Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-11 Mohadeseh Feshanjerdi, Amir Ali Masoudi, Fatemeh Tajik
We theoretically calculate here how random roughness affects the contact current density and equivalently contact resistance by utilizing a perturbative expansion method. Then, By taking into consideration self-affine roughness on the surface of the solids, we find the contact current density. The obtained results illustrate the total contact current exhibits significant dependence on the properties
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Contribution of strong electron-phonon interaction in the transport properties of La0.8Ca0.2Mn0.5Ni0.5O3 system Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-11 A. Ghodhbani, Y. Moualhi, W. Dimassi, R. M'nassri, H. Rahmouni, K. Khirouni
LaCaMnNiO NTC (negative thermal coefficient) thermo-sensitive material was prepared using a conventional solid-state reaction method. From the structural results, we found that the material is pure and crystallizes in the orthorhombic structure with a Pnma space group. It is found that the LaCaMnNiO ceramic can be used as an NTC thermistor compound in specific temperature sensors and attenuators. Based
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First principles study of thermo-physical and opto-electronic properties of NaCuTe, NaCuSe and NaScSn as potential photovoltaics Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-10 Madallah Yusuf, Felix O. Saouma, George S. Manyali, Job W. Wafula, Anthony Pembere
In this comprehensive study, we delved into the electronic, structural, elastic, optical and thermodynamic properties of sodium-based ternary semiconductors i.e NaCuTe, NaCuSe and NaScSn. Employing first-principle calculations, we precisely determined various material properties. The lattice constants, bulk modulus and equilibrium total energies were derived using the Murnaghan equation of state and
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Structural, chemical states, electrical properties and forward transport phenomena of Ti/MnO2/p-InP heterostructure with a transition metal oxide MnO2 interlayer Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-10 S. Ashajyothi, V. Rajagopal Reddy, A. Ashok Kumar
The study examines the surface topology, optical, structural and electrical characteristics of e-beam evaporated manganese dioxide (MnO) films on p-InP using AFM, FESEM, UV–Vis, XRD, XPS and I–V procedures. The surface roughness of the MnO was smooth from AFM and FESEM analysis. The optical bandgap of MnO film was extracted from Tauc's plot. The outcomes endorse that the MnO layer deposited on InP
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III-Arsenide separate confinement heterostructure infrared laser diodes with engineered the cladding layers Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-10 Sana Saeed, Muhammad Usman, Shazma Ali, Laraib Mustafa, Iqra Anjum, Jamshad Bashir
In this work, III-Arsenide laser diodes (LDs) show better optoelectronic properties when the aluminum (Al) concentration in the cladding layer is increased up to 95 % in a separate confinement heterostructure (SCH). These laser diodes show their peak gain the infrared lasing wavelength of ∼840 nm. Enhancing the Al in the n- and p-cladding layers, both separately and simultaneously in LDs, shows that
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Ferromagnetic ordering in Fe: TiO2 solid solutions: A visual electron density mapping by maximum entropy method using powder X-ray data Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-09 S. Balaji Prasath, M. Charles Robert, K. KaviyaPandimeena, R.V. Jeba Rajasekhar
TiO solid solutions with Fe compositions of 6 %, 9 %, and 12 % were analyzed using multi-phase Rietveld refinement analysis for average structure and maximum entropy for electronic structure. VSM analysis showed that the 9 % and 12 % Fe doped TiO compositions had a maximum magnetization of 0.3128 emu/g and coercivity of 574 Oe and 568 Oe, respectively. This confirms ferromagnetic tuning with Fe doping
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Investigations on the microwave-assisted growth of ZnO nanorods and the performance of nanostructured heterojunction UV photodetector Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-09 Aiswarya J. Nair, Amruthakiran A. S, Akshai Shyam, Janani Krishnamoorthy, Ramasubramanian Swaminathan
Vertically aligned ZnO nanorods have been grown using the microwave-assisted technique. The current approach offers a potential environment for achieving the ultra-fast (3–7 min) growth of ZnO nanorods compared to the conventional aqueous solution method, where the growth proceeds over a longer time in hours. ZnO nanorods have been grown by altering the molarity, microwave power, and growth time. Increasing
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Enhancing mechanical properties of MgB2 superconductors through Nb substitution: A first-principles study Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-08 Yuhan Jiang, Yongchao Liang
MgB has a wide range of applications as a crucial superconducting material in fields such as electronics and communications, but its weak mechanical properties limit its use in extreme environments such as high pressure. Therefore, this article explores the enhancement mechanism of the mechanical properties for MgB by substituting Mg sites with Nb element based on first principles. After substitution
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Edge effects in quantum cellular automata binary wire Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-06 Mahdiah Estiri, Ehsan Rahimi
The molecular quantum cellular automata approach provides a paradigm for molecular electronics, where the charge configurations at reduction–oxidation centers of molecules represent binary information. The QCA cells are coupled by electrostatic fields and enable implementing devices for digital data transmission and logic operation at the molecular scale. Designing inputs for the desired operation
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Phase diagram and physical properties anisotropy of strontianite Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-06 Zi-Jiang Liu, Jia-Qi Ju, Xi-Long Dou, Neng-Zhi Jin, Cai-Rong Zhang, Xiao-Wei Sun, Lei Zhang
The physical properties and anisotropy of carbonates at high pressure are fundamental to understanding the deep carbon cycle and storage. Here, we redraw the phase diagram of strontianite (SrCO) by first-principles calculations combined with lattice dynamics and study its physical properties and anisotropy at high pressure. The results show that there are only and phases in SrCO in the entire Earth's
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Electronic heat capacity in bilayer P6 mmm borophene: Effects of a perpendicular electric field, excitonic effects, and dopants Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-06 Tran Cong Phong, Bui T.K. My, Hoang D. Long, Nguyen T. Nam, Le T.T. Phuong
In this work, we aim to control the electronic heat capacity (EHC) of bilayer borophene through a perpendicular electric field, excitonic effects, and external dopants. To achieve this, we employ the tight-binding model within a semi-classical framework. Our findings reveal a decrease in EHC under all stimuli due to decreased total electronic states in the system, while the coexistence of electric
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Optical characterization of MoS2 and MoS2/Zn synthesized by thermal evaporation and sol-gel spin-coating techniques for gas-sensing and NLO-applications Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-05 E. Kh. Shokr, H.M. Ali, Heba A. Mohamed, Moumen S. Kamel, H.A. Mohamed
Thermal evaporation and sol-gel spin coating techniques were utilized to fabricate different (MoS) Zn (x = 0, 0.03) films for gas sensing and nonlinear optical applications. X-ray diffraction, field emission scanning electron microscope (FE–SEM) and energy dispersive x-ray spectroscopy were utilized to investigate their structural, morphological, and elemental analyses. Besides, the optical and electrical
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Ratiometric thermometry using down-conversion luminescence and solid-state lighting application of Er3+ activated strontium tungstate phosphor Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-05 Naresh Degda, Nimesh Patel, Ketan Chaudhari, K.V.R. Murthy, M. Srinivas
Er activated SrWO double perovskite crystallized in triclinic structure was synthesized via the solid-state reaction method at 1200 °C for non-contact optical thermometry and solid-state lighting. The phosphors under study were characterized via X-ray diffraction, scanning electron microscopy, diffusion reflectance spectra, and photoluminescence techniques. When excited with 380 nm, the SrWO:Er phosphors
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Regarding the structural, thermodynamic, mechanical, thermoelectric, and optoelectronic properties of anti-perovskite Mg3XN (X = As, Sb, and Bi) through a DFT approach Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-04 Mingyao Xiong, Shaoxia Wang, Zhupeng Mao
In this work, we comprehensively analyzed the structure, thermodynamics, mechanical, thermoelectric, and photoelectric properties of antiperovskite MgXN (X = As, Sb, and Bi) using first-principles calculations and semi-classical Boltzmann transport theory. Our calculations of phonon spectra and elastic constants suggest that MgXN (X = As, Sb, and Bi) exhibit excellent dynamic and mechanical stability
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The magnetic and electric transport properties in erbium-doped layered perovskite iridate Sr2–xErxIrO4 Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-04 Hui Liu, Yanfei Xiong, Xiaotian Wang, Jian Bian, Yuan Feng, Yuwu Feng, Xianhe Gao
The 5d oxide SrIrO with a layered perovskite structure has been investigated due to its peculiar = 1/2 insulating ground state. In this research, we investigate the evolution of magnetic and electric transport properties of Er-doped polycrystalline perovskite iridates SrErIrO (0 ≤ ≤ 0.06). Er is magnetic and can thus provide magnetic interactions with Ir. Also, Er doping introduces a carrier-doping
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Comparative Monte Carlo study on magnetic characteristics in β12,χ3 and striped Borophene structures Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-04 R. El Fdil, Hussein Sabbah, D. Kabouchi, Z. Fadil, A. Mhirech, Chaitany Jayprakash Raorane, E. Salmani, Adel El-marghany, P. Rosaiah, H. Ez-Zahraouy
This comparative Monte Carlo study compares the magnetic properties of β₁₂, χ₃, and striped Borophene structures to reveal differences in magnetization, susceptibility, blocking temperature, and coercive field for each lattice. Beyond merely exploring these properties, the study delves into the crucial influence of exchange coupling () and external magnetic field (H) on both blocking temperature and
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Electronic phase transformations and energy gap variations in uniaxial and biaxial strained monolayer VS[formula omitted] TMDs: A comprehensive DFT and beyond-DFT study Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-04 Oguzhan Orhan, Şener Özönder, Soner Ozgen
In the rapidly evolving field of 2D materials, transition metal dichalcogenides (TMDs) have emerged as compelling candidates for electronic applications. This study investigates the electronic structure of the H-phase monolayer VS belonging to TMD family and the influence of strain on its band structure through Density Functional Theory (DFT). We employ two different pseudopotential approximations
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First-principles study on graphene/WSi2N4 van der Waals heterostructure: Tuning the Schottky barrier Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-04 Jiahui Li, Hong Li, Zhonghao Bai, Fengbin Liu, Kang An, Jing Lu
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Surface effects for half-metallic Heusler alloy CrYCoAl Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-04 Xiao-Ping Wei, Zhen-Yang Mei, Xiaoma Tao
Magnetic tunnel junctions are the core component of spintronic devices, and good magnetic tunnel junctions require high tunnel resistance, which is determined by the spin polarization of the thin films of ferromagnetic layers that make up their structure. Therefore, the design of ferromagnetic films with high spin polarization is a current research hotspot in this field. In the current study, we taken
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First-principles prediction on the structural stability, electronic, optical and mechanical properties of TiBC, Ti6Si2B and Ti6Ge2B Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-03 Xiaoming Wang, He Ma, Xudong Zhang, Lijia Chen, Hao Wu, Shiyi Chen
The crystal structure stability, mechanical, optical and thermodynamic properties of TiBC, TiSiB and TiGeB were predicted using the first principles calculations. The analysis of phonon dispersion curves, formation enthalpies, energy bands, and density of states demonstrate that TiBC, TiSiB and TiGeB exhibit structure stability and metallic properties. The tensile strength of TiBC, TiSiB and TiGeB
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High piezoelectric coefficients and rich phase transitions in ternary TlXY (X = S, Se; Y = Cl, Br, I) monolayers Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-03 Rui Guo, Xing Wang, Yanfeng Ge, Yong Liu, Wenhui Wan
In this work, we investigated the structural, electronic, optical, and piezoelectric properties of TlXY (X = S, Se; Y = Cl, Br, I) monolayers using the first-principles calculations. Five types of TlXY monolayers are structurally stable. The band gap, which ranges from 0.371-2.196 eV, is direct for most TlXY and indirect for TlSeBr. With adequate flexibility, the in-plane and out-of-plane piezoelectric
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DFT study of hydrogen absorption in high-pressure tetragonal phase of Mg3LaHn with Y and Sc additions Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-03 N. Mosteghanemi, L. Rouaïguia, L. Rabahi, A. Kellou
The pseudo-potential Density Functional Theory (DFT) method using the Generalized Gradient Approximation (GGA) is applied to investigate hydrogen insertion trends in MgLa alloy in several high-pressure tetragonal phases. The addition effect of Y and Sc on the stability, structural properties and hydrogen interaction energies of MgLa and its hydrides are investigated. The main results indicate that
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Exploring Shannon entropy and heat capacity of doped GaAs quantum dot under the influence of noise Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-03 Bhaskar Bhakti, Swarnab Datta, Manas Ghosh
Present enquiry explores the and the corresponding of which is doped with and under the aegis of . GWHN may take and routes for its entrance to the doped QDs. The enquiry analyzes the features of temperature-dependence of above thermodynamic properties and also the effect of various physical parameters on them at a given temperature. The study reveals some kind of complex interplay involving the temperature
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Optical properties of spherical quantum dot using screened Kratzer potential Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-02 Vinod Kumar, Munesh Bansal, Priyanka, Ritu, S.B. Bhardwaj, Ram Mehar Singh, Fakir Chand
Here we investigate the optical properties of a spherical quantum dot using the screened Kratzer potential. The density matrix formalism is employed to study refractive index changes, along with linear and nonlinear optical absorption coefficients. To this effect, the radial Schrödinger equation is solved using the Nikiforov–Uvarov functional analysis method, resulting in analytical expressions for
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Andreev bound states in Josephson junctions of semi-Dirac semimetals Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-02 Ipsita Mandal
We consider a Josephson junction built with the two-dimensional semi-Dirac semimetal, which features a hybrid of linear and quadratic dispersion around a nodal point. We model the weak link between the two superconducting regions by a Dirac delta potential because it mimics the thin-barrier-limit of a superconductor–barrier–superconductor configuration. Assuming a homogeneous pairing in each region
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Unipolar optical transitions in nanoclusters of ellipsoidal geometry Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-01 G. Nikoghosyan, H.S. Nikoghosyan
The quantum states of an ellipsoidal nanocluster of a heterophase system are studied using an exact analytical approach, in contrast to the generally accepted theoretical model based on the adiabatic approximation. It is shown that the spectrum of a nanoobject is formed from local groups, consisting of discrete levels, separated by terahertz frequency intervals. A double random degeneration of certain
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Structural phase coexistence enhances the energy storage density of (Bi0.5Na0.5)0.8Ba0.2Ti1-ySnyO3 lead-free ceramics Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-01 G.C. Ancy, P.M. Priya Dharsini, N. Raja, B. Sundarakannan
In the present study, BaSnO was introduced into polycrystalline NBT-BT ferroelectric ceramics and conducted a comprehensive investigation into the structural, dielectric, ferroelectric, and energy storage characteristics of the (BiNa)BaTiSnO (BNBTS) ceramics. The coexistence of structural phases P4mm and Amm2 was observed through Rietveld refinement and also confirmed by Raman analysis. The formation
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Electronic and optical properties of two-dimensional Janus Sn0.5Ge0.5S monolayer Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-01 M.R. Ebrahimi, A. Banjafar, T. Vazifehshenas
Janus two-dimensional (2D) materials have received widespread attention in recent years due to their out-of-plane asymmetric structures which makes them promising candidates for sustainable energy devices. In this work, using first-principles calculations, we study a novel 2D Janus monolayer SnGeS for recently synthesized SnS monolayer. We investigate structural, electronic and optical properties of
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First-principles calculations into electronic, and excitonic effects of CH3NH3PbX3 (X = Br, I) perovskite solar cells Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-01 Nguyen Thi Han, Tu Le Manh, Vo Khuong Dien
The orthorhombic phases of CHNHPbX (X = Br, I) have garnered significant research interest for their potential applications in optoelectronics. This work presents our findings regarding the geometric, electronic, and optical properties of CHNHPbX utilizing first-principles calculations based on density functions theory (DFT), and many-body perturbation theory (MBPT). Our investigation reveals that
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A computational approach to study the halides-based double perovskites Cs2InAuX6 (X=Cl, Br) for low-cost energy technologies Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-04-01 Mazia Asghar, Hafiza Sumaira Waheed, Ussbah Abbas, Hamid Ullah, M. Junaid Iqbal Khan, Saikh Mohammad Wabaidur, Asad Ali, Young-Han Shin
Using the computer-based simulations in the framework of WIEN2K, we have investigated the structure, optoelectronic, and thermoelectric properties of lead-free double perovskite halides CsInAuX (X = Cl, Br). These materials stabilize in the cubic phase due to lower formations energies. Interestingly, the CsInAuCl (Eg = 0.7 eV) exhibits a narrow band gap while the CsInAuBr (Eg = 0 eV) shows metallic
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Anisotropic internal fields behavior in La[formula omitted]Sr[formula omitted]CuO4 ([formula omitted]): Precursor to the spin glass state revealed by muon spin relaxation Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-30 Muhamad Darwis Umar, Henokh Lugo Hariyanto, Moh. Adhib Ulil Absor
In this study, we conducted a zero-field muon spin experiment on slightly doped LaSrCuO from 200 K down to near the spin glass temperature (). Utilizing pulsed muon beams with longer time spectra, we investigated the interplay between dynamic and static fields, which influenced the lineshapes of the nuclear dipole field. Our results reveal the emergence and growth of a Lorentzian field associated with
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Effects of electric and magnetic fields on the electronic properties in the asymmetrical biconvex lens-shaped GaAs/GaAlAs quantum dots Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-30 E.B. Al, R.L. Restrepo, A.L. Morales, F. Mora-Rey, T. Sosa-Giraldo
Theoretical investigation of electronic properties in asymmetric biconvex lens-shaped GaAs/GaAlAs quantum dots is considered in the presence of the external magnetic and electric fields. In addition, the effects of the dot size and the asymmetry of the structure on the electronic properties are also investigated. The shape of this quantum dot corresponds to the intersection of two differently centered
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Robustness of magnetocrystalline anisotropy and coercivity in Fe–Co–B Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-30 X.B. Liu, I.C. Nlebedim
As a potential candidate for critical chemical element free permanent magnet, (FeCo)B, shows promising intrinsic magnetic properties, including large magnetization, high Curie temperature and moderate magnetocrystalline anisotropy (MCA). Still, the coercivity that has been achieved is relatively low. To understand and improve coercivity, we study the robustness of MCA related to the fluctuation of
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An approach to achieving [formula omitted]-wave triplet superconductivity in Hubbard models Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-30 Xingchuan Zhu, Wanpeng Han, Shiping Feng, Huaiming Guo
Spin–triplet superconductivity is highly sought-after in condensed matter physics due to its potential applications in topological quantum computing. The related pairing mechanism involving interaction remains an important area of research. In this study, we propose an approach to achieve -wave triplet superconductivity in Hubbard models by simply changing the sign of hopping amplitudes for the spin-down
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Effect of cerium oxide nanorods growth time on the electrochromic properties of WO3/CeO2 hybrid films Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-29 Ashok Reddy G V, Sheik Abdul Sattar, K Naveen Kumar, Hitha D. Shetty, Doreswamy B H, Ramachandra Naik, C. Devaraja, P. Rosaiah, Merum Dhananjaya, Sang Woo Joo, Munirah D. Albaqami
In this study, the cerium oxide nanorods (CeO) were grown on fluorine-doped tin oxide (FTO) glass substrates by using a hydrothermal process at growth times of 4hrs, 6hrs and 12hrs and annealed at temperature 350C. The grown samples were characterized by using Scanning electron spectroscopy (SEM), Energy dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD), Raman spectroscopy, and UV–Vis spectrometer
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Sol-gel spin-coated Y-doped SnO2 nanostructured thin films for various optoelectronic device applications Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-28 Yathish Kumar, Harish Sharma Akkera, G. Srinivas Reddy, Nagaiah Kambhala
The effect of various concentrations of Y-doped SnO thin films (Y: SnO) on structural, optical, and electrical properties was investigated. XRD showed the polycrystalline tetragonal structure of all the films. SEM analysis showed homogenous growth of the films with spherical structure. XPS revealed the oxidation states of Sn, Y, and O, also it provides the presence of oxygen vacancies in Y: SnO films
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Electronic transport and optical properties of five different phases (α, β, ε, δ and γ) of Ga2O3: A first-principles study Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-27 Jiaqi Ding, Yan Liu, Xiyu Gu, Li Zhang, Xiaodong Zhang, Xiang Chen, Wenjuan Liu, Yao Cai, Shishang Guo, Chengliang Sun
In the field of power and ultraviolet devices, GaO becomes an emerging semiconductor due to its large energy bandgap and suitable optical absorption wavelength at solar blind ultraviolet band. In this work, the electronic and optical properties of five GaO polymorphs are investigated by the first-principles calculations to study their potential in ultraviolet devices. The geometry structures, electronic
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Visible light photocatalysis enhancement by Ag3PO4 decorated with RuO2 nanoparticles Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-27 A. Ashwini, V Sabari, M. Gomathi, C Esther Jeyanthi, L. Saravanan, S. Elangovan, N Kanagathara
In this study, we employed the precipitation method to synthesize nanoparticles of silver phosphate doped with ruthenium, utilizing synthesized silver phosphate and ruthenium trichloride trihydrate as precursors. The investigation of structural, chemical, and morphological characteristics was conducted through X-ray diffraction, X-ray photoelectron spectroscopy, scanning electron microscopy, transmission
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Temperature dependence of iodine vacancies concentration in [formula omitted] perovskite: A theoretical analysis Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-26 Hamid Shahivandi, Mohamadhosein Nosratjoo
In this study, we investigate the temperature dependence of iodine vacancies in the organic-inorganic hybrid perovskite through theoretical analysis. Iodine vacancies, as point defects, play a crucial role in the instability of perovskite solar cells. By employing molecular dynamics (MD) simulations, we calculate the formation energy of vacancies and examine its relationship with temperature. Our results
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Modeling magnetic refrigeration capacity of doped EuTiO3 magnetocaloric compounds using swarm based intelligent computational method Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-26 James I. Agbi, Taoreed O. Owolabi, Dele D. Abajiigin, Sami M. Ibn Shamsah, Fawaz S. Alharbi
This work models the magnetic refrigeration capacity (MRC) of doped europium titanate (EuTiO) at different applied magnetic field using hybrid particle swarm optimization based support vector regression (SW-SVR) algorithm with ionic radii dopant descriptors. The developed model with Gaussian function (SW-SVR-Gas) shows better performance as compared with polynomial based model (SW-SVR-Pol) with improvement
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Boundary conditions for micromagnetism with spin currents Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-26 Vittorio Basso, Alessandro Magni, Alessandro Sola, Michaela Kuepferling
In this paper we show how the spin current in insulating ferromagnets can be treated in the micromagnetic framework by generalizing the boundary conditions in order to allow for the transport of magnetic moment and energy at the interface with other spin carrying media. As specific examples we demonstrate the spin Hall torque and spin pumping effects for a ferromagnetic layer in contact with a spin
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Mg doping effect on the properties of SnO2 thin films synthesized by dip-coating method Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-26 Djalila Namoune, Redha Aouati, Abderrahmane Bouabellou, Halima Djaaboube, Yassine Bouachiba, Adel Taabouche, Sara Boumaiza, Hacene Serrar, Faycel Kharfi, Abdelkader Nouiri, Sarah Benzitouni
Undoped and Mg doped SnO thin films were deposited on glass substrates using dip-coating method for the first time. X-ray diffraction analysis of the films revealed a tetragonal rutile phase. A decrease in crystallite size is observed as the Mg doping increases. The transmittance spectrum exhibits a decrease in transmittance from 87% to 62% as the Mg content is increased. The optical band gap narrows
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Double perovskite oxides Ba2-xAgxFeMoO6 (x = 0.0, 0.025, 0.05) Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-26 Z. Ghorbani, M.H. Ehsani
Double perovskite BaFeMoO (BFMO) substituted with monovalent Ag ions was synthesized using the sol-gel method, and its structure and magnetic properties were systematically studied. Rietveld refinement showed that the samples had a single phase with a cubic structure and an Fm-3m space group. With Ag substitution, the lattice parameter and unit cell of BFMO increased linearly, and the morphology of
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Spacing-driven collapse of band gap and magnetic order in Sr3Ir2O7 Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-25 Chang-Min Guo, Hong Zhang, Xin-Lu Cheng
Using first-principles methods, we investigated the effect of structural deformation on the electronic and magnetic properties of SrIrO by two tuning ways: reducing only the interlayer spacing and the uniaxial-like compression. In both cases, an insulator-metal transition is successfully achieved with significantly different Fermi surface features. The former consists of a hole pocket and an electronic
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Electronic, magnetic, and optical properties of ferrimagnet Heusler alloys Zr2VX (X=Al, Ga, and In) Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-25 Algethami Obaidallah A, Hind Alqurashi, Eesha Andharia, Bothina Hamad, Ahmed Zakaria, K. Ayuel
We present a comprehensive study of the half-metallic, spin-gapless, and optical properties of ZrVX (X = Al, Ga, and In) Heusler alloys using density functional theory (DFT). Our estimation of the band gap shows different results from those in the literature and predicts that ZrVAl and ZrVGa are half-metallic ferrimagnets. The electronic structure of ZrVIn is a spin-gapless ferrimagnet that is also
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Tunability of the photoelectric properties of CdSe thin films through doping with manganese toward photovoltaic applications Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-23 S. Kunwar, M.F. Al-Kuhaili
Tandem solar cells have been demonstrated to surpass the Shockley-Queisser limit, promising the transition to third-generation solar cell technology. Tandem solar cells comprise thin film layers of various band gap semiconductors, and CdSe is a promising candidate for the top cell. In this study, we explore the properties of thermally evaporated CdSe thin films doped with 0 to 5 wt% Mn and report a
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Gain and excess noise properties of 3-gain-stage InGaAs/InAlAs avalanche photodetector Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-23 Tong Sun, Zi H. Wang, Gang Liu, Xue Y. Yang, Mei Q. Du, Feng Zhou, Peng F. Lu
—We constructed a model for a 3-stage InGaAs/InAlAs avalanche photodiode using numerical simulations based on the gain-noise mechanism. The contact layer, barrier layer, charge layer and multiplication layer of this model are optimized accordingly. The performance of the device can be improved by optimizing the thickness and doping concentration of the contact layer, increasing the thickness of the
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First-principles study of direct Z-scheme GaS/WTe2 van der Waals heterostructure as photocatalyst for water splitting Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-23 Changxin Wan, Wei Yan, Chunsheng Liu, Lan Meng, Xiaohong Yan
The effective separation of charge carriers and the redox capacity for water splitting are two crucial factors that influence photocatalysis. Here, we studied the photocatalytic properties of GaS/WTe van der Waals heterostructure (vdWH) using first-principle calculations. The results show that this heterostructure acts as a direct Z-scheme with GaS as the water oxidation photocatalyst and WTe as the
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Effect of annealing temperature on bismuth vanadate nano thin films for solar cell applications Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-22 Dev Bahadur Khadka, Suresh Sagadevan, Shinya Kato, Tetsuo Soga
Bismuth vanadate (BiVO) has been used as the photoanode electrodes in ferroelectric solar cells owing to its unique combination of properties: a narrow bandgap among ferroelectrics, economic viability, negative conduction band edge, and remarkable stability. The present work explores the fabrication and characterization of BiVO thin films prepared via spin coating, with a specific focus on elucidating
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Quantum phase transitions in the alternating XY chain with three-site interactions Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-22 Kaiyuan Cao, Hao Fu, Xue Liu, Ming Zhong, Peiqing Tong
We investigate the quantum phase transition in the alternating XY chain with the XZY+YZX type of three-spin interactions. We present the exact solution derived by means of the Jordan–Wigner transformation and study the average magnetization, spin correlations, and von Neumann entropy to establish the phase diagram. The phase diagram consists of the ferromagnetic phases, the paramagnetic phases, and
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Temperature dependent dielectric studies of pure and Sr doped Pr2NiMnO6 Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-21 Khalid Sultan, Shohaib Abass, Faizan Shafi Ahanger, Suhail Farooq Najar, Rahi Manzoor, Aaqib Ahmad Shah, Wasim Akram, Sajid Gulzar, Ishtiyaq Ahmad, Faizan Shafi
The physical properties of Sr doped PrNiMnO have been discussed. The Samples of PrSrNiMnO (x = 0.0, 0.2, 0.4) have been synthesized via Solid State Reaction. The X-Ray diffraction and Scanning Electron Microscopy characterizations were applied to examine the structure and surface morphology. Observed XRD patterns reveal the structure to be monoclinic with P2/n space group. Increase in the Sr doping
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Information encryption driven by strength-switchable circular dichroism in vanadium dioxide based chiral metasurfaces Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-21 Jingyu Wang, Huan Jiang, Siwei Fan, Feng Wu, Weiren Zhao
Switchable polarization selectivity in reconfigurable metasurfaces is highly required in the field of information encryption. In this paper, we proposed a scheme of information encryption by using the giant and strength-switchable circular dichroism (CD) in VO-based chiral metasurfaces in the mid-infrared region. A bar code information is encrypted and hidden into a VO-based bielliptic cylinder (BC)
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Examining the influence of magnetic field on a donor dopant’s photoionization cross-section in a double quantum box Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-21 R. Arraoui, M. Jaouane, A. Ed-Dahmouny, A. Fakkahi, K. El-Bakkari, H. Azmi, A. Sali, I. Manssouri
This study systematically explored the binding energy and the photoionization cross-section (PCS) of a hydrogenic shallow donor impurity within a GaAs double quantum box structure incorporated into a As matrix under the influence of an external intense magnetic field. The computations are performed using the effective-mass approximation (EMA) and the finite element method (FEM), taking into account
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High-pressure study of synthesized α-Bi2O3/NiBi3 nanostructured composite: In-situ synchrotron XRD measurements, DFT calculations and PDF approach Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-20 Q.H.F. Rebelo, A.F.F.F. Pereira, Z.V. Borges, Angsula Ghosh, P. Chaudhuri, J.C. de Lima, D.M. Trichês, S. Michielon de Souza
We investigated a nanostructured composite of α-BiO/NiBi, which was synthesized through high-energy milling, under high-pressure conditions of up to 30 GPa. To track its structural changes, we employed synchrotron angle-dispersive X-ray diffraction measurements in conjunction with density functional theory calculations. Crystallographic information was derived using the Rietveld method and DFT computations
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Theoretical study of a Ti4 cluster interacting with B-doped and non-doped multivacancy graphene Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-19 R.E. Ambrusi, V. Orazi, A. Morelli, J.M. Marchetti, A. Juan
A density functional theory study was performed to understand the interactions of a small Ti cluster with multi-vacancy graphene. We also consider the effect produced by the B-doping of the vacancy defect. In this sense, we analyze the binding mechanisms of the metal cluster. The focus is set on its stability on the substrate, geometrical structure and the interactions participating between the cluster
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Tuning structural and electronic properties of Stanene-based nanotube by strain and transverse electric field: First-principles investigation Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-19 M. Yaghoobi Notash, A. Rastkar Ebrahimzadeh, J. Jahanbin Sardroodi
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Summerfield scaling model and conduction processes for the determination of the transport properties of the Ba0.25Sr0.25Fe0.25O4 ceramic Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-18 B. Abdelaoui, J. Massoudi, A. Benali, A. Oueslati, M. Bejar, E. Dhahri, M.P. Graça, M.A. Valente, M. Jemmali
The conductivity spectra of the iron oxide BaSrFeO revealed that sample exhibits a semi-conductor behavior within the temperature and frequency. Based on the direct current analysis, charge carrier transport was assisted by a disorder energy below . For , electrical conductivity was attributed to the contribution of the Mott-VRH mechanism. However, for , conduction phenomena were supported by the thermal
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Structural, optical, and charge carrier dynamics study of metal-doped La6MoO12- based ionic conductors Phys. B Condens. Matter (IF 2.8) Pub Date : 2024-03-16 Arunmay Baidya, Abhigyan Dutta
In this work, we successfully substituted Nb on the Mo site of the LaMoO compound by incorporating SmO through the solution combustion method and investigated their structural, optical, and electrical properties. The X-ray diffraction profile confirmed a transition from the rhombohedral R2 to the R1 phase with increasing Nb. A red shift was found in the optical bandgap energy with increasing Nb concentration