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Electronic and optical properties of the zinc-blende structured LiZnN under pressure
Authors:Chang Jing  Lan Jun-Qing  Ai Qiong  Chen Xiang-Rong
Affiliation:School of Physical Science and Technology, Sichuan University, Chengdu 610064, China
Abstract:
The electronic and optical properties of the cubic zinc-blende (ZB)structured filled tetrahedral semiconductor textit{$alpha $}-LiZnNunder pressure are investigated by using textit{ab initio} planewave pseudopotential density functional theory method within thegeneralized gradient approximation (GGA). The electronic bandstructure and the density of state under pressure are systematicallydescribed. The basic optical constants, including the reflection andabsorption spectra, the energy-loss function, the complex refractiveindex and the dielectric function, are calculated and analysed atdifferent external pressures. Our results suggested that the ZBtextit{$alpha $}-LiZnN is transparent in the partiallyultra-violet to the visible light region, and it seems that thetransparency is hardly affected by the pressure.
Keywords:density functional theory  electronic structure   optical properties   LiZnN
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