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Thermal conductivity of wrinkled graphene ring with defects J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-17 Qingxiang Ji, Bohan Li, Muamer Kadic, Changguo Wang
Graphene rings have great prospects in the fields of biological modulators, electrochemical biosensors, and resonators, but are prone to wrinkling which can affect their physical properties. This work establishes a theoretical model predicting the torsional wrinkling behavior of defective monolayer graphene rings, which provides direct understanding and reliable accuracy of the wrinkle levels. Then
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A study on the kinetic arrest of magnetic phases in nanostructured Nd0.6Sr0.4MnO3 thin films J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-17 Mrinaleni R S, E P Amaladass, A T Sathyanarayana, P Jegadeesan, S Amirthapandian, Awadhesh Mani
The Nd0.6Sr0.4MnO3 (NSMO) manganite system exhibits a phase transition from paramagnetic insulating (PMI) to ferromagnetic metallic (FMM) state around its Curie temperature T C = 270 K (bulk). The morphology-driven changes in the kinetically arrested magnetic phases in NSMO thin films with granular and crossed-nano-rod-type morphology are studied. The manganite thin films at low temperatures possess
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Ordering kinetics and steady states of XY-model with ferromagnetic and nematic interaction J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-17 Partha Sarathi Mondal, Pawan Kumar Mishra, Shradha Mishra
Previous studies on the generalized XY model have concentrated on the equilibrium phase diagram and the equilibrium nature of distinct phases under varying parameter conditions. We direct our attention towards examining the system’s evolution towards equilibrium states across different parameter values, specifically by varying the relative strengths of ferromagnetic and nematic interactions. We study
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Vibrational properties of disordered stealthy hyperuniform 1D atomic chains J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-15 Houlong Zhuang, Duyu Chen, Lei Liu, David Keeney, Ge Zhang, Yang Jiao
Disorder hyperuniformity is a recently discovered exotic state of many-body systems that possess a hidden order in between that of a perfect crystal and a completely disordered system. Recently, this novel disordered state has been observed in a number of quantum materials including amorphous 2D graphene and silica, which are endowed with unexpected electronic transport properties. Here, we numerically
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Lattice dynamics and self-trapped excitons in the Cs2SnBr6 double perovskites J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-15 Manh Ha Hoang, Duy Manh Le, Anh Thi Le, Quoc Khanh Nguyen, T Anh Thu Do, Truong Giang Ho, Minh Tan Man
Our study delved into the detailed investigation of Cs2SnBr6 double perovskites, focusing on their electrical properties, lattice dynamics, and stability. The direct bandgap for Cs2SnBr6 was estimated to be at 2.93 eV. One external translational mode of the Cs+ lattice with T 2g symmetry and three internal modes of the octahedral with A 1g, E g, and T 2g symmetries are defined by calculated lattice
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Pressure and temperature dependent ab-initio quasi-harmonic thermoelastic properties of tungsten J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-15 Xuejun Gong, Andrea Dal Corso
We present the ab-initio temperature and pressure dependent thermoelastic properties of body-centered cubic tungsten. The temperature dependent quasi-harmonic elastic constants (ECs) are computed at several reference volumes including both the phonon and the electronic excitations contribution to the free energy and interpolated at different temperatures and pressures. Good agreement with the experimental
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An interpretation for the components of 2p 3/2 core level x-ray photoelectron spectra of the cations in some inverse spinel oxides J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-12 Arjun Subedi, Detian Yang, Wai Kiat Chin, Binny Tamang, Sushrisangita Sahoo, Paul Yancey, Rifat Mahbub, Jeffrey Shield, Rebecca Y Lai, Xiaoshan Xu, Peter A Dowben, Vijaya Rangari
In an effort to reconcile the various interpretations for the cation components of the 2p 3/2 observed in x-ray photoelectron spectroscopy (XPS) of several spinel oxide materials, the XPS spectra of both spinel alloy nanoparticles and crystalline thin films are compared. We observed that different components of the 2p 3/2 core level XPS spectra, of these inverse spinel thin films, are distinctly surface
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Enhanced weak superconductivity in trigonal γ-PtBi2 J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-12 J Zabala, V F Correa, F J Castro, P Pedrazzini
Electrical resistivity experiments show superconductivity at Tc=1.1 K in a high-quality single crystal of trigonal γ-PtBi2, with an enhanced critical magnetic field μ0Hc2(0)≳1.5 Tesla and a low critical current-density Jc(0)≈40 A cm−2 at H = 0. Both Tc and Hc2(0) are the highest reported values for stoichiometric bulk samples at ambient pressure. We found a weak Hc2 anisotropy with Γ=Hc2ab/Hc2c<1
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Recent progress on topological semimetal IrO2: electronic structures, synthesis, and transport properties J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-10 T X Zhang, A L Coughlin, Chi-Ken Lu, J J Heremans, S X Zhang
5d transition metal oxides, such as iridates, have attracted significant interest in condensed matter physics throughout the past decade owing to their fascinating physical properties that arise from intrinsically strong spin-orbit coupling (SOC) and its interplay with other interactions of comparable energy scales. Among the rich family of iridates, iridium dioxide (IrO2), a simple binary compound
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Flat bands without twists: periodic holey graphene J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-09 Abdiel de Jesús Espinosa-Champo, Gerardo G Naumis
Holey Graphene (HG) is a widely used graphene material for the synthesis of high-purity and highly crystalline materials. The electronic properties of a periodic distribution of lattice holes are explored here, demonstrating the emergence of flat bands. It is established that such flat bands arise as a consequence of an induced sublattice site imbalance, i.e. by having more sites in one of the graphene’s
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Topological band inversion and chiral Majorana mode in hcp thallium J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-08 Motoaki Hirayama, Takuya Nomoto, Ryotaro Arita
The chiral Majorana fermion is an exotic particle that is its own antiparticle. It can arise in a one-dimensional edge of topological materials, and especially that in a topological superconductor can be exploited in non-Abelian quantum computation. While the chiral Majorana mode (CMM) remains elusive, a promising situation is realized when superconductivity coexists with a topologically non-trivial
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Direction-dependent conductivity in planar Hall set-ups with tilted Weyl/multi-Weyl semimetals J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-08 Rahul Ghosh, Ipsita Mandal
We compute the magnetoelectric conductivity tensors in planar Hall set-ups, which are built with tilted Weyl semimetals (WSMs) and multi-Weyl semimetals (mWSMs), considering all possible relative orientations of the electromagnetic fields ( E and B ) and the direction of the tilt. The non-Drude part of the response arises from a nonzero Berry curvature in the vicinity of the WSM/mWSM node under consideration
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Signatures of quantum phases in a dissipative system J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-08 Rohan Joshi, Saikat Mondal, Souvik Bandyopadhyay, Sourav Bhattacharjee, Adhip Agarwala
Lindbladian formalism, as tuned to dissipative and open systems, has been all-pervasive to interpret non-equilibrium steady states of quantum many-body systems. We study the fate of free fermionic and superconducting phases in a dissipative one-dimensional Kitaev model—where the bath acts both as a source and a sink of fermionic particles with different coupling rates. As a function of these two couplings
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Guiding infrared electromagnetic waves through TI nanowires with extremely large wavenumber and azimuthal index J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-08 Y W Li, M N Chen, J Y Dai, Yu Zhou
In this paper, the dispersion relations of the surface plasmon polaritons (SPPs) in TI nanowires have been investigated. For simplicity, TI nanowire has been modeled as a dielectric cylinder with a conductive surface, the conductivity of which is an anti-symmetric tensor. The off-diagonal terms of the conductivity tensor only slightly change the dispersion relations. Due to small conductivities, these
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Phase comparison and equation of state for Ta2O5 J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-05 Matthew C Brennan, Daniel A Rehn, Larissa Q Huston, Blake T Sturtevant
Tantalum pentoxide (Ta2O5) is among the most technologically useful heavy transition metal oxides. Unfortunately, its crystal structure is the subject of long-standing and unresolved disagreement. Among other consequences, this uncertainty has made it impossible to formulate a robust high pressure equation of state for Ta2O5. Here, we report the results of high pressure x-ray diffraction experiments
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Robust room temperature perpendicular magnetic anisotropy and anomalous Hall effect of sputtered NiCo2O4 film J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-05 Biao Zheng, Xianghao Ji, Mingzhu Xue, Caihong Jia, Chaoyang Kang, Weifeng Zhang, Jinbo Yang, Mingliang Tian, Xuegang Chen
Inverse spinel ferrimagnetic NiCo2O4 (NCO) exhibits volatile physical properties due to the complex ion/valence occupation, which complicates the study its intrinsic properties. In this work, robust room temperature perpendicular magnetic anisotropy (PMA) is distinctly observed in high-quality RF-sputtered NCO film down to 3 uc (2.4 nm), confirmed by the room temperature anomalous Hall effect. The
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Topological balance of cell distributions in plane monolayers J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-05 Daria S Roshal, Kirill K Fedorenko, Marianne Martin, Stephen Baghdiguian, Sergei B Rochal
Most of normal proliferative epithelia of plants and metazoans are topologically invariant and characterized by similar cell distributions according to the number of cell neighbors (DCNs). Here we study peculiarities of these distributions and explain why the DCN obtained from the location of intercellular boundaries and that based on the Voronoi tessellation with nodes located on cell nuclei may differ
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The influence of charge ordering in the microscopic structure of monohydroxy alcohols J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-05 Martina Požar, Bernarda Lovrinčević, Aurélien Perera
While radiation scattering data provides insight inside the microstructure of liquids, the Debye relation relating the scattering intensity I(k) to the atom–atom structure factors Sab(k) shows that, ultimately, it is these individual structure correlation functions which contain the relevant information about the micro-structure. However, these quantities are not observables, except in few cases where
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Antiferromagnetically ordered topological semimetals in Hubbard model with spin-orbit coupling J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-05 Garima Goyal, Dheeraj Kumar Singh
We examine the possible existence of Dirac semimetal with magnetic order in a two-dimensional system with a nonsymmorphic symmetry by using the Hartree–Fock mean-field theory within the Hubbard model. We locate the region in the second-neighbor spin–orbit coupling vs Hubbard interaction phase diagram, where such a state is stabilized. The edge states for the ribbons along two orthogonal directions
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Optical and dielectric properties of divalent copper based double perovskite compound, Gd2CuTiO6 J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-05 Papiya Saha, R Nithya, R M Sarguna, Sujoy Sen
In this work, we have investigated high temperature dielectric properties and room temperature optical properties on rare earth ion based orthorhombic Gd2CuTiO6 (GCTO). Optical properties like reflectance and band gap were determined from ultra-violet visible (UV–Vis) diffuse reflectance spectroscopy technique and photoluminescence (PL) spectrum. The compound exhibited substantial optical absorption
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Polyaniline-graphene based composites electrode materials in supercapacitor: synthesis, performance and prospects J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-05 Zefei Guo, Gengzheng Liu, Huilian Hao, Jun Yang, Huayu Lei, Xuerong Shi, Wenyao Li, Wenfu Liu
Supercapacitors (SCs) have become one of the most popular energy-storage devices for high power density and fast charging/discharging capability. Polyaniline is a class of conductive polymer materials with ultra-high specific capacitance, and the excellent mechanical properties will play a key role in the research of flexible SCs. The synergistic effect between polyaniline and graphene is often used
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Evolution of ferrimagnetism against Griffiths singularity in calcium ruthenate J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-05 Pooja Kesarwani, Sachindra Nath Sarangi, D Samal, Chanchal Sow
The magnetism in the correlated metal CaRuO3 is enigmatic as it is poised near a triple point among the ferromagnetic, antiferromagnetic, and paramagnetic ground states. Here we report a detailed work on structural, spectroscopic, magnetic, and transport properties in CaRu 1−x Cr x O3. We find that Cr doping reduces the orthorhombicity in CaRuO3. Surprisingly, a tiny (x = 0.01) amount of Cr-doping
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Structural trends and itinerant magnetism of the new cage-structured compound HfMn2Zn20 J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-05 Nusrat Yasmin, Md Fahel Bin Noor, Tiglet Besara
A new cage-structured compound—HfMn2Zn20—belonging to the AB 2 C 20 (A, B = transition or rare earth metals, and C = Al, Zn, or Cd) family of structures has been synthesized via the self-flux method. The new compound crystallizes in the space group Fd3¯m with lattice parameter a ≈ 14.0543(2) Å (Z = 8) and exhibits non-stoichiometry due to Mn/Zn mixing on the Mn-site and an underoccupied Hf-site. The
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Application of ionic liquid extractant in enhanced separation of 2-propanol-n-hexane azeotrope system J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-05 Huanxin Li, Bo Zhu, Xin Ding
2-Propanol and n-hexane are widely used (as) chemical reagents in electronic, pharmaceutical, and chemical industries. An efficient separation of the azeotropic system of 2-propanol-n-hexane is of profound practical significance. By using the conductor-like screening model for real solve (COSMO-RS) predictive model, ionic liquids as extractants for separating the azeotropic system of 2-propanol-n-hexane
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Phase diagram and crossover phases of topologically ordered graphene zigzag nanoribbons: role of localization effects J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-05 Hoang-Anh Le, In-Hwan Lee, Young Heon Kim, S-R Eric Yang
We computed the phase diagram of zigzag graphene nanoribbons as a function of on-site repulsion, doping, and disorder strength. The topologically ordered phase undergoes topological phase transitions into crossover phases, which are new disordered phases with non-universal topological entanglement entropy that exhibits significant variance. We explored the nature of non-local correlations in both the
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Ni/Zn ratio and La substitution effect on selected structural and magnetic properties of NiZn ferrites J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-04 Martin Šoka, Mariana Ušáková, Rastislav Dosoudil, Vladimír Jančárik, Elemír Ušák, Edmund Dobročka
Auto-combustion process was used for synthetization of Ni1−x Zn x Fe2O4 and Ni1−x Zn x La0.02Fe1.98O4 (x = 0, 0.3, 0.5, 0.64 and 0.7) ferrite samples to investigate their structural and selected magnetic properties. Standard characterization method such as x-ray diffraction, magnetic susceptibility temperature dependencies measurement, low-frequency hysteresis loops recording and complex permeability
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Topological phase transitions with zero indirect band gaps J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-04 Giandomenico Palumbo
Topological phase transitions in band models are usually associated to the gap closing between the highest valance band and the lowest conduction band, which can give rise to different types of nodal structures, such as Dirac/Weyl points, lines and surfaces. In this work, we show the existence of a different kind of topological phase transitions in one-dimensional systems, which are instead characterized
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Long range piezoelectricity effects in van der Waals heterobilayer systems beyond 1000 atoms J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-02 Han-Wei Hsiao, Namita Narendra, Tillmann Kubis
Twist angle is a relevant design and control component for the piezoelectric coefficients of van der Waals (vdW) heterostructures. This theoretical work assesses in high detail the impact of the twist angle on the piezoelectricity of two-dimensional (2D) heterobilayer systems. We expand the density-functional based tight-binding method to predict the piezoelectric coefficients of twisted and corrugated
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Possible charge ordering and anomalous transport in graphene/graphene quantum dot heterostructure J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-02 Rajarshi Roy, David Holec, Lukáš Michal, Dušan Hemzal, Saikat Sarkar, Gundam Sandeep Kumar, David Nečas, Meena Dhankhar, Preeti Kaushik, I Jénnifer Gómez, Lenka Zajíčková
Observations of superconductivity and charge density waves (CDW) in graphene have been elusive thus far due to weak electron–phonon coupling (EPC) interactions. Here, we report a unique observation of anomalous transport and multiple charge ordering phases at high temperatures ( T1∼213K , T2∼325K ) in a 0D−2D van der Waals (vdW) heterostructure comprising of single layer graphene (SLG) and functionalized
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Comparative first principles investigation on the structural, optoelectronic and vibrational properties of strain-engineered graphene-like AlC3, BC3 and C3N monolayers J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-02 Souvik Bhattacharjee, Anibrata Banerjee, Kalyan Kumar Chattopadhyay
Three cardinal two-dimensional semiconductors viz., AlC3, BC3 and C3N, closely resembling the graphene structure, are intriguing contenders for emerging optoelectronic and thermomechanical applications. Starting from a critical stability analysis, this density functional theory study delves into a quantitative assessment of structural, mechanical, electronic, optical, vibrational and thermodynamical
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A microscopic view of checkerboard and striped charge orders through doping antiferromagnetic Mott insulator J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-04-02 Xuanlan Wang, Wei Zhu
The emergence of charge order in doped Mott insulators has received considerable attention due to its relevance to a variety of realistic materials and experiments. To investigate the interplay between magnetic and charge order, we have studied the semiclassical Kondo lattice model, which includes both electronic and magnetic degrees of freedom. By combining Langevin dynamical simulations with the
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Strain induced modulations in the thermoelectric properties of 2D SiH and GeH monolayers: insights from first-principle calculations J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-28 Rati Ray Banik, Swarup Ghosh, Joydeep Chowdhury
The present paper is primarily focused to understand the strain driven alterations in thermoelectric (TE) properties of two-dimensional SiH and GeH monolayers from first-principle calculations. Electronic band structures and the associated TE properties of the compounds under ambient and external strains have been critically unveiled in terms of Seebeck coefficients, electrical conductivities, power
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A brief review of hybrid skin-topological effect J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-28 Weiwei Zhu, Linhu Li
The finding of non-Hermitian skin effect (NHSE) has revolutionized our understanding of non-Hermitian topological phases, where the usual bulk-boundary correspondence is broken and new topological phases specific to non-Hermitian system are uncovered. Hybrid skin-topological effect (HSTE) is a class of newly discovered non-Hermitian topological states that simultaneously supports skin-localized topological
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A molecular dynamics simulation study of thermal transport in hydrazinium cyclo-pentazolate J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-28 Zhangling Xiong, Xiao Xu, Xu Jia
Cyclo-pentazolate salts (CPSs) as a new type of high-energy-density materials (HEDMs) with high nitrogen content have attracted considerable research attention. In contrast to the extensive studies on their energy properties, the thermal transport process in CPSs has been less studied which relates closely to the thermal safety of this material. Concerning the hydrazinium cyclo-pentazolate (HCP), we
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Emerging complexity in the self-dual theory of superconductivity J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-28 M A Sarmento, W Y Córdoba-Camacho, A A Shanenko, A Vagov, J Albino Aguiar, V S Stolyarov
To describe the way complexity emerges in seemingly simple systems of nature, requires one to attend to two principal questions: how complex patterns appear spontaneously and why a single system can accommodate their inexhaustible variety. It is commonly assumed the pattern formation phenomenon is related to the competition of several types of interactions with disparate length scales. These multi-scale
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Theory of tensorial Gilbert damping in antiferromagnets J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-28 Prasad Dhali, Ritwik Mondal
Although the magnetic Gilbert damping was considered as a scalar quantity in micromagnetic and atomistic spin simulations, recent investigations show that the Gilbert damping parameter is a tensor. Here, we investigate the effect of anisotropic and chiral damping in one-sublattice ferromagnets and two-sublattice antiferromagnets. We employ linear response theory to calculate the susceptibility with
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The void side of silica: surveying optical properties and applications of mesoporous silica J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-28 Chiara Olla, Carlo Maria Carbonaro
Mesoporous silica stands out as a remarkable, low-density transparent material characterized by well-defined nanometric pore sizes. It is available in various morphologies, including monoliths, nanoparticles, and films. This material plays a pivotal role in numerous technological applications, both independently and as a component in hybrid composites, acting as a host for a diverse range of inorganic
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Robust magnetism and crystal structure in Dirac semimetal EuMnBi2 under high pressure J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-27 Greeshma C Jose, Weiwei Xie, Barbara Lavina, Jiyong Zhao, Esen E Alp, Dongzhou Zhang, Wenli Bi
Dirac materials offer exciting opportunities to explore low-energy carrier dynamics and novel physical phenomena, especially their interaction with magnetism. In this context, this work focuses on studies of pressure control on the magnetic state of EuMnBi2, a representative magnetic Dirac semimetal, through time-domain synchrotron Mössbauer spectroscopy in 151Eu. Contrary to the previous report that
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Tunable electronic and optical properties of BAs/WTe2 heterostructure for theoretical photoelectric device design J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-27 Wentao Luo, Xing Wei, Jiaxin Wang, Yan Zhang, Huaxin Chen, Yun Yang, Jian Liu, Ye Tian, Li Duan
The geometric structure of the BAs/WTe2 heterojunction was scrutinized by employing ab initio calculations grounded on density functional theory. Multiple configurations are constructed to determine the equilibrium state of the heterojunction with optimal stability. The results show that the H1-type heterojunction with interlayer distance of 3.92 Å exhibits exceptional stability and showcases a conventional
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Frontiers in all electrical control of magnetization by spin orbit torque J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-27 Shuai Hu, Xuepeng Qiu, Chang Pan, Wei Zhu, Yandong Guo, Ding-Fu Shao, Yumeng Yang, Delin Zhang, Yong Jiang
Achieving all electrical control of magnetism without assistance of an external magnetic field has been highly pursued for spintronic applications. In recent years, the manipulation of magnetic states through spin–orbit torque (SOT) has emerged as a promising avenue for realizing energy-efficient spintronic memory and logic devices. Here, we provide a review of the rapidly evolving research frontiers
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The strain regulated physical properties of PbI2/g-C3N4 for potential optoelectronic device J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-27 Xiunan Chen, Yuhong Huang, Zunyi Deng, Haili Zhao, Fei Ma, Jianmin Zhang, Xiumei Wei
The van der Waals (vdW) heterostructures of Z-scheme PbI2/g-C3N4 with an indirect bandgap have gained much attention in recent years due to their unique properties and potential applications in various fields. However, the optoelectronic characteristics and strain-modulated effects are not yet fully understood. By considering this, six stacking models of PbI2/g-C3N4 are proposed and the stablest structure
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First-principles calculation of self-interstitial atom-impurity atom interactions in ferritic steel J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-27 Chunhui Li, Wenhao Duan, Wenjiang Qiang
In this study, the interactions between self-interstitial atoms (SIA) and impurity atoms (Cu and P) in the body-centered cubic (bcc)-Fe matrix have been investigated using the first principles approach. The results show that Cu and P atoms are more prone to segregation on perpendicular and parallel surfaces containing dumbbell atoms, respectively. Next, by combining the charge density difference and
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Understanding the effect of foreign atoms occupation on the metamagnetic behaviors in MnCoSi-based alloys: taking Pt-doping as an example J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-27 Zhishuo Zhang, Yuqing Bai, Yuanyuan Gong, Bin Chen, Shuang Pan, Yong Guo, Feng Xu
Present research on TiNiSi-type MnCoSi-based alloys focuses on finding a suitable doping element to effectively reduce the critical magnetic field (μ 0 H cri) required to induce a metamagnetic transition. This paper provides a guide to achieve this goal through an experimental investigation of Mn1−x Pt x CoSi and MnCo1−x Pt x Si alloys. In Mn1−x Pt x CoSi, as x increases, μ 0 H cri at room temperature
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Design, preparation, and property analysis of metal/dielectric multilayer film with wavelength selectivity J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-27 Jiang-Yuan Wu, Bao-Lin An, Wei Dong, Zhen Yang, Yuan-Yuan Duan
Metal/dielectric multilayer films have important applications in energy-saving glass, stealth materials, solar energy utilization and other fields. In the current study, the thickness of each layer of TiO2/Ag/TiO2/Ag/TiO2 film is optimized. The effects of the number of metal/dielectric multilayer films and the incident light angle on their optical properties were investigated. The TiO2/Ag/TiO2/Ag/TiO2
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Orientation of graphene nanosheets in suspension under an electric field: theoretical model and molecular dynamic simulations J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-27 Yu-Xia Dong, Zi-Tong Zhang, Xu-Dong Zhang, Bing-Yang Cao
Orientation regulation of nanoparticles in a suspension by an electric field is a powerful tool to tune its mechanical, thermal, optical, electrical properties etc. However, how molecular modification can affect the orientation of two-dimensional nanoparticles is still unclear. In this paper, the influence of molecular modification on the orientation of graphene nanosheets (GNS) in water was investigated
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Bands renormalization and superconductivity in the strongly correlated Hubbard model using composite operators method J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-27 L Haurie, M Grandadam, E Pangburn, A Banerjee, S Burdin, C Pépin
We use the composite operator method (COM) to analyze the strongly correlated repulsive Hubbard model, investigating the effect of nearest-neighbor hoppings up to fourth order on a square lattice. We consider two sets of self-consistent equations, one enforcing the Pauli principle and the other imposing charge-charge, spin-spin, and pair–pair correlations using a decoupling scheme developed by Roth
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Tunable optical bistability of two-dimensional tilted Dirac system J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-26 Vivek Pandey, Pankaj Bhalla
We study the phenomenon of controlling the light by light known as the optical bistability for the two-dimensional tilted Dirac system. Using the Boltzmann approach under relaxation time approximation, we find that the optical bistability can be controlled by the nonlinear response of the system. For the prototype, we consider an inversion symmetry broken system. We find that the optical bistability
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Chirality-selective topological magnon phase transition induced by interplay of anisotropic exchange interactions in honeycomb ferromagnet J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-26 Jin-Yu Ni, Xia-Ming Zheng, Peng-Tao Wei, Da-Yong Liu, Liang-Jian Zou
A variety of distinct anisotropic exchange interactions commonly exist in one magnetic material due to complex crystal, magnetic and orbital symmetries. Here we investigate the effects of multiple anisotropic exchange interactions on topological magnon in a honeycomb ferromagnet, and find a chirality-selective topological magnon phase transition induced by a complicated interplay of Dzyaloshinsky–Moriya
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Generalized bulk-boundary correspondence in periodically driven non-Hermitian systems J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-21 Xiang Ji, Xiaosen Yang
We present a pedagogical review of the periodically driven non-Hermitian systems, particularly on the rich interplay between the non-Hermitian skin effect and the topology. We start by reviewing the non-Bloch band theory of the static non-Hermitian systems and discuss the establishment of its generalized bulk-boundary correspondence (BBC). Ultimately, we focus on the non-Bloch band theory of two typical
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Why neural functionals suit statistical mechanics J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-21 Florian Sammüller, Sophie Hermann, Matthias Schmidt
We describe recent progress in the statistical mechanical description of many-body systems via machine learning combined with concepts from density functional theory and many-body simulations. We argue that the neural functional theory by Sammüller et al (2023 Proc. Natl Acad. Sci. 120 e2312484120) gives a functional representation of direct correlations and of thermodynamics that allows for thorough
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Combining linear-scaling quantum transport and machine-learning molecular dynamics to study thermal and electronic transports in complex materials J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-21 Zheyong Fan, Yang Xiao, Yanzhou Wang, Penghua Ying, Shunda Chen, Haikuan Dong
We propose an efficient approach for simultaneous prediction of thermal and electronic transport properties in complex materials. Firstly, a highly efficient machine-learned neuroevolution potential (NEP) is trained using reference data from quantum-mechanical density-functional theory calculations. This trained potential is then applied in large-scale molecular dynamics simulations, enabling the generation
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Physics mechanisms underlying the optimization of coherent heat transfer across width-modulated nanowaveguides with calculations and machine learning J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-20 Antonios-Dimitrios Stefanou, Xanthippi Zianni
Optimization of heat transfer at the nanoscale is necessary for efficient modern technology applications in nanoelectronics, energy conversion, and quantum technologies. In such applications, phonons dominate thermal transport and optimal performance requires minimum phonon conduction. Coherent phonon conduction is minimized by maximum disorder in the aperiodic modulation profile of width-modulated
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Quantum–classical correspondence and dissipative to dissipationless crossover in magnetotransport phenomena J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-20 Akiyoshi Yamada, Yuki Fuseya
The three-dimensional magneto-conductivity tensor was derived in a gauge invariant form based on the Kubo formula considering quantum effects under a magnetic field, such as the Landau quantization and quantum oscillations. We analytically demonstrated that the quantum formula of the magneto-conductivity can be obtained by adding a quantum oscillation factor to the classical formula. This result establishes
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Silica-based scintillators: basic properties of radioluminescence kinetics J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-18 Marjorie Grandvillain, Marie Vidal, Joël Hérault, Mourad Benabdesselam, Petter Hofverberg, Franck Mady
Radioluminescent silica-based fiber dosimeters offer great advantages for designing miniaturized realtime sensors for high dose-rate dosimetry. Rise and fall kinetics of their response must be properly understood to better assess their performances in terms of measurement speed and repeatability. A standard model of radioluminescence (RL) has already been quantitatively validated for doped silica glasses
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Rotational phase transitions in antifluorite-type osmate and iridate compounds J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-18 A Bertin, L Kiefer, P Becker, L Bohatý, M Braden
We present temperature-dependent single-crystal diffraction results on seven antifluorite-type A2MeX6 compounds with Me = Os or Ir: K2OsCl6, A 2OsBr6 with A = K, Rb, Cs and NH4, and K2IrX 6 with X = Cl and Br. The structural transitions in this family arise from MeX 6 octahedron rotations that generate a rich variety of symmetries depending on the rotation axis and stacking schemes. In order to search
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Electric properties of the twelve-fold vortex structure in hexagonal manganites J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-15 Hongling Lin, Kunlun Yang, Lin Lin, Zhibo Yan, J-M Liu
Hexagonal manganites, as a functional ferroelectric (FE) material, receive considerable attention due to their improper ferroelectricity and topological vortex structures. This family exhibits three low-symmetry states accompanied by distinct vortex domain structures. In addition to the FE P63 cm and anti-FE (AFE) P-3c1 states accompanied by dual six-fold vortex structures, there is another FE P3c1
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Van Hove singularity driven enhancement of superconductivity in two-dimensional tungsten monofluoride (WF) J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-15 Prarena Jamwal, Rajeev Ahuja, Rakesh Kumar
Superconductivity in two-dimensional materials has gained significant attention in the last few years. In this work, we report phonon-mediated superconductivity investigations in monolayer Tungsten monofluoride (WF) by solving anisotropic Migdal Eliashberg equations as implemented in EPW. By employing first-principles calculations, our examination of phonon dispersion spectra suggests that WF is dynamically
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Effect of zero-point motion on properties of quantum particles adsorbed on a substrate J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-15 Amer D Al-Oqali, Roger R Sakhel, Asaad R Sakhel
We qualitatively investigate the effect of zero-point motion (ZPM) on the structure and properties of a film composed of quantum particles adsorbed on a graphite substrate. The amplitude of ZPM is controlled by a change of the particle mass while keeping the interactions fixed. In that sense it is assumed that the interactions can be controlled by future doping methods. The worm-algorithm path integral
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Berry curvature and quantum metric in copper-substituted lead phosphate apatite J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-15 Wei Chen
The recent discovery of copper-substituted lead phosphate apatite, also known as LK-99, has caught much attention owing to certain experimental evidence of room-temperature superconductivity, although this claim is currently under intensive debate. Be it superconducting or not, we show that the normal state of this material has peculiar quantum geometrical properties that may be related to the magnetism
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New aspects of femtosecond laser ablation of Si in water: a material perspective J. Phys. Condens. Matter (IF 2.7) Pub Date : 2024-03-14 Kanaka Ravi Kumar, Dipanjan Banerjee, Mangababu Akkanaboina, R Sai Prasad Goud, Arshiya Anjum, A P Gnana Prakash, Anand P Pathak, Venugopal Rao Soma, S V S Nageswara Rao
We report a study of the role of material’s conductivity in determining the morphology of nanoparticles and nanostructures produced by ultrafast laser ablation of solids. Nanoparticles and textured surfaces formed by laser ablation display a wide variation in size and morphology depending on the material. In general, these qualities can be grouped as to material type, insulator, semiconductor, or metal;