Electronic structure and optical properties of CuAlO2 under biaxial strain.
作者： C K Ghosh , D Sarkar , M K Mitra , K K Chattopadhyay
DOI: 10.1088/0953-8984/24/23/235501
关键词: Strain (chemistry) 、 Dielectric 、 Condensed matter physics 、 Materials science 、 Band gap 、 Electron mobility 、 Valence electron 、 Ab initio 、 Crystallography 、 Ultimate tensile strength 、 Electronic structure
摘要: An ab initio calculation has been carried out to investigate the biaxial strain ( − 10.71% < e < 9.13%) effect on elastic, electronic and optical properties of CuAlO2. All elastic constants (c11, c12, c13, c33) except c44 decrease (increase) during tensile (compressive) strain. The band gap is found in presence as well compressive relative asymmetric with respect sign Significant differences between parallel perpendicular components dielectric constant have observed due anisotropic crystal structure. It further noticed that these are easily tunable by Importantly, collective oscillation valence electrons identified for light polarized c-axis. From calculations, it clear can enhance hole mobility transparency
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