Various Stone-Wales Defects in Phagraphene

被引：4

作者：

Openov, L. A. ^{[1
]}

Podlivaev, A. I. ^{[1
,2
]}

机构：

[1] Natl Res Nucl Univ MEPhI, Kashirskoe Sh 31, Moscow 115409, Russia

[2] Res Inst Dev Sci & Educ Potential Youth, Ul Aviatorov 14-55, Moscow 119620, Russia

来源：

PHYSICS OF THE SOLID STATE | 2016年 / 58卷 / 08期

基金：

俄罗斯科学基金会;

关键词：

THERMAL-STABILITY; DIRAC CONES; GRAPHENE; CARBON; GRAPHYNE;

D O I：

10.1134/S1063783416080229

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

Various Stone-Wales defects in phagraphene, which is a graphene allotrope, predicted recently are studied in terms of the nonorthogonal tight-binding model. The energies of the defect formation and the heights of energy barriers preventing the formation and annealing of the defects are found. Corresponding frequency factors in the Arrhenius formula are calculated. The evolution of the defect structure is studied in the real-time mode using the molecular dynamics method.

引用

页码：1705 / 1710

页数：6

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