Electronic and optical properties of the zinc-blende structured LiZnN under pressure |
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| Authors: | Chang Jing Lan Jun-Qing Ai Qiong and Chen Xiang-Rong |
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| Affiliation: | School of Physical Science and Technology, Sichuan
University,
Chengdu 610064, China |
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| Abstract: | The electronic and optical properties of the cubic zinc-blende (ZB)
structured filled tetrahedral semiconductor \textit{$\alpha $}-LiZnN
under pressure are investigated by using \textit{ab initio} plane
wave pseudopotential density functional theory method within the
generalized gradient approximation (GGA). The electronic band
structure and the density of state under pressure are systematically
described. The basic optical constants, including the reflection and
absorption spectra, the energy-loss function, the complex refractive
index and the dielectric function, are calculated and analysed at
different external pressures. Our results suggested that the ZB
\textit{$\alpha $}-LiZnN is transparent in the partially
ultra-violet to the visible light region, and it seems that the
transparency is hardly affected by the pressure. |
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| Keywords: | density functional theory electronic structure optical properties LiZnN |
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