The radioactive 4H-³²SiC is applied as an energy converting material to fabricate high performance betavoltaic batteries. The time-related component change is considered, and the structural, stability and electrical property changes are calculated by density functional theory. As time goes by, the number of ³²Si atoms decrease exponentially while the concentration of ³²S increases gradually. The Si₆₃PC₆₄ configurations have smaller lattice constants, while the lattices of Si₆₂PSC₆₄ configurations are larger. All Si₆₃PC₆₄ and Si₆₂PSC₆₄ configurations have very small bandgaps indicating the metallic behavior. This suggests that the betavoltaic battery with 4H-³²SiC is likely to transform into a Schottky diode over time.

中文翻译：

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4H-32SiC作为贝塔伏特电池能量转换材料的时间相关特性的第一性原理研究

放射性4H- ³² SiC被用作能量转换材料来制造高性能贝塔伏特电池。考虑与时间相关的成分变化，并通过密度泛函理论计算结构、稳定性和电性能变化。随着时间的推移，^{32 Si 原子的数量呈指数减少，而32} S的浓度逐渐增加。 Si ₆₃ PC _{64配置具有较小的晶格常数，而Si 62} PSC ₆₄配置的晶格较大。所有 Si ₆₃ PC ₆₄和 Si ₆₂ PSC ₆₄配置都具有非常小的带隙，表明金属行为。这表明，随着时间的推移，采用 4H- ³² SiC的贝塔伏特电池可能会转变为肖特基二极管。