Ab-initio study of the optical properties of the Li-intercalated graphene and MoS2

被引：0
|
作者：
Pesic, Jelena [1 ]
Gajic, Rados [1 ]
机构：
[1] Univ Belgrade, Inst Phys Belgrade, Pregrevica 118, Belgrade 11080, Serbia
来源：
OPTICAL AND QUANTUM ELECTRONICS | 2016年 / 48卷 / 07期
基金：
新加坡国家研究基金会;
关键词：
Graphene; Optical properties; MoS2; DFT; DENSITY-FUNCTIONAL THEORY; SUPERCONDUCTIVITY; FILMS; PHASE;
D O I：
10.1007/s11082-016-0635-6
中图分类号：
TM [电工技术]; TN [电子技术、通信技术];
学科分类号：
0808 ; 0809 ;
摘要：
Ab-initio calculations based on density functional theory have been performed to study the optical properties of the Li intercalated graphene and MoS2. Comparative study of imaginary part of dielectric function for the Li doped, pristine graphene monolayer and their bulk counterparts has been done. The dielectric matrix has been calculated using the Quantum Espresso software package and its postprocessing code epsilon.x. The presented results show reliable qualitative description especially for computationally inexpensive calculation.
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页数：7
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