COMPARATIVE STUDY OF ELECTRONIC PROPERTIES OF GRAPHITE AND HEXAGONAL BORON NITRIDE (h-BN) USING PSEUDOPOTENTIAL PLANE WAVE METHOD

被引：27

作者：

Kaloni, Thaneswor P. ^{[1
]}

Mukherjee, Sugata ^{[1
]}

机构：

[1] SN Bose Natl Ctr Basic Sci, Kolkata 700098, India

来源：

MODERN PHYSICS LETTERS B | 2011年 / 25卷 / 22期

关键词：

Graphite; boron nitride; band structure; electronic properties; GRAPHENE; BINDING;

D O I：

10.1142/S0217984911027182

中图分类号：

O59 [应用物理学];

学科分类号：

摘要：

We studied various ground state properties, e.g. cohesive energy, exfoliation energy, equilibrium lattice constants, elastic constant (C-33), compressibility, band structure, density of states and charge density of Graphite, Graphene and Hexagonal Boron Nitride (h-BN) using pseudopotential plane wave method. Most of the calculated physical quantities of graphite are found to be close to those of h-BN and these are in good agreement with available experimental data.

引用

页码：1855 / 1866

页数：12

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