Ab-initio calculations of electronic and vibrational properties of Sr and Yb intercalated graphene

被引：2
作者：
Solajic, Andrijana [1 ]
Pesic, Jelena [1 ]
Gajic, Rados [1 ]
机构：
[1] Univ Belgrade, Other Mat & Ordered Nanostruct 2D, Ctr Solid State Phys & New Mat, Lab Graphene,Inst Phys Belgrade, Pregrevica 118, Belgrade 11080, Serbia
来源：
OPTICAL AND QUANTUM ELECTRONICS | 2018年 / 50卷 / 07期
基金：
新加坡国家研究基金会;
关键词：
Graphene; DFT; Electronic properties; 2D materials; NITROGEN-DOPED GRAPHENE; SUPERCONDUCTIVITY;
D O I：
10.1007/s11082-018-1541-x
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：
Since the 1960s, Graphite intercalation compounds (GIC) have been extensively studied, showing many new properties and exotic physics. This inspired many to investigate a single or few-layer intercalated graphene. Intercalated graphene has many extraordinary properties and it is different compared to pristine graphene or bulk GICs, with great spectra of characteristics induced by various intercalants. This method opens new possibilities for research and applications in electronics and photonics. Here we present the results of a DFT study on electronic and vibrational properties of the graphene doped with Sr and Yb adatoms, taking into account that only their corresponding bulk compounds have been investigated so far. The calculations were performed in Quantum Espresso software package.
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页数：10
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