Energy band structures of group IV compound semiconductors for solar cells
作者： Ryo Suwa , Koji Sueoka , Eiji Kamiyama
关键词: Ultimate tensile strength 、 Ab initio quantum chemistry methods 、 Band gap 、 Stoichiometry 、 Crystal 、 Electronic band structure 、 Diamond 、 Strain (chemistry) 、 Crystallography 、 Materials science
摘要: The impact of isotropic lattice strain and the composition ratios mono binary systems group IV compounds with diamond structures on energy band were analyzed ab initio calculations by covering wider ranges (−30 to 30%) compositions (0–100%) than those in actual cases. bandgap C crystal increased (decreased) under compressive (tensile) while Si (Ge) reached maximum tensile 5% (0%). bandgaps Ge–Sn (Si–Ge Si–Sn) at 1:1 stoichiometry These values slightly differed from predicted Vegard's law. Si–C (Ge–C Sn–C) remarkably law when contained atoms.
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