Two-dimensional boron on Pb (1 1 0) surface

被引：6

作者：

He, Xin-Ling ^{[1
,2
]}

Weng, Xiao-Ji ^{[1
,2
]}

Zhang, Yue ^{[1
,2
]}

Zhao, Zhisheng ^{[3
]}

Wang, Zhenhai ^{[4
,5
,6
,7
]}

Xu, Bo ^{[3
]}

Oganov, Artem R. ^{[4
,5
,6
,8
,9
]}

Tian, Yongjun ^{[3
]}

Zhou, Xiang-Feng ^{[1
,2
]}

Wang, Hui-Tian ^{[1
,2
,10
,11
]}

机构：

[1] Nankai Univ, Key Lab Weak Light Nonlinear Photon, Tianjin 300071, Peoples R China

[2] Nankai Univ, Sch Phys, Tianjin 300071, Peoples R China

[3] Yanshan Univ, State Key Lab Metastable Mat Sci & Technol, Qinhuangdao 066004, Peoples R China

[4] Moscow Inst Phys & Technol, Dolgoprudnyi 141700, Moscow Region, Russia

[5] SUNY Stony Brook, Dept Geosci, Ctr Mat Design, Stony Brook, NY 11794 USA

[6] SUNY Stony Brook, Inst Adv Computat Sci, Stony Brook, NY 11794 USA

[7] Nanjing Univ Posts & Telecommun, Coll Telecommun & Informat Engn, Nanjing 210003, Jiangsu, Peoples R China

[8] Skolkovo Inst Sci & Technol, 3 Nobel St, Moscow 143026, Russia

[9] Northwestern Polytech Univ, Sch Mat Sci, Xian 710072, Shaanxi, Peoples R China

[10] Nanjing Univ, Natl Lab Solid State Microstruct, Nanjing 210093, Jiangsu, Peoples R China

[11] Nanjing Univ, Collaborat Innovat Ctr Adv Microstruct, Nanjing 210093, Jiangsu, Peoples R China

来源：

FLATCHEM | 2018年 / 7卷

基金：

美国国家科学基金会;

关键词：

DIRAC FERMIONS; CONES;

D O I：

10.1016/j.flatc.2017.07.003

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

We simulate boron on Pb (1 1 0) surface by using ab initio evolutionary methodology. Interestingly, the two-dimensional (2D) Dirac Pmmn boron can be formed because of good lattice matching. Unexpectedly, by increasing the thickness of 2D boron, a three-bonded graphene-like structure (P2(1)/a boron) was revealed to possess double anisotropic Dirac cones. It is 20 meV/atom lower in energy than the Pmmn structure, indicating the most stable 2D boron with particular Dirac cones. The puckered structure of P2(1)/a boron results in the peculiar Dirac cones, as well as substantial mechanical anisotropy. The calculated Young's modulus is 320 GPa.nm along zigzag direction, which is comparable with graphene. (C) 2017 Elsevier B.V. All rights reserved.

引用

页码：34 / 41

页数：8

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