Specific features of band structure and optical anisotropy of Cu2CdGeSe4 quaternary compounds
作者： M.G. Brik , O.V. Parasyuk , G.L. Myronchuk , I.V. Kityk
DOI: 10.1016/J.MATCHEMPHYS.2014.04.022
关键词:
摘要: Complex theoretical and experimental studies of the band structure optical functions a new Cu2CdGeSe4 quaternary crystal are reported. The benchmark calculations were performed using first-principles methods. As result, structural, electronic, elastic properties calculated in general gradient approximation (GGA) local density (LDA). dielectric function absorption spectra exhibit some anisotropic behavior. Detailed analysis energy dispersion effective space charge helped establishing origin anisotropy. All compared with data. An additional comparison similar allowed to reveal role played by anions (S or Se) formation these two materials.
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