The prediction of a family group of two-dimensional node-line semimetals

被引：68

作者：

Jin, Yuan-Jun ^{[1
]}

Wang, Rui ^{[1
,2
,3
]}

Zhao, Jin-Zhu ^{[1
,4
]}

Du, Yong-Ping ^{[5
]}

Zheng, Can-Di ^{[1
]}

Gan, Li-Yong ^{[1
,6
]}

Liu, Jun-Feng ^{[1
]}

Xu, Hu ^{[1
]}

Tong, S. Y. ^{[1
,7
]}

机构：

[1] South Univ Sci & Technol China, Dept Phys, Shenzhen 518055, Peoples R China

[2] Chongqing Univ, Inst Struct & Funct, Chongqing 400030, Peoples R China

[3] Chongqing Univ, Dept Phys, Chongqing 400030, Peoples R China

[4] Chinese Acad Sci, Dalian Inst Chem Phys, Dalian 116023, Peoples R China

[5] Nanjing Univ Sci & Technol, Dept Appl Phys, Nanjing 210094, Jiangsu, Peoples R China

[6] Southwest Jiaotong Univ, Superconduct & New Energy R&D Ctr, Key Lab Adv Technol Mat, Minist Educ, Chengdu 610031, Sichuan, Peoples R China

[7] Chinese Univ Hong Kong Shenzhen, Sch Sci & Engn, Shenzhen 518172, Peoples R China

来源：

NANOSCALE | 2017年 / 9卷 / 35期

基金：

中国国家自然科学基金;

关键词：

BORON-NITRIDE NANOTUBES; METAL DICHALCOGENIDE NANOSHEETS; CRYSTAL-STRUCTURE PREDICTION; TOTAL-ENERGY CALCULATIONS; WAVE BASIS-SET; BLACK PHOSPHORUS; DIRAC FERMIONS; GRAPHENE; TRANSISTORS; PHASE;

D O I：

10.1039/c7nr03520a

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Using first-principles calculations, we predict a family group of two-dimensional semimetals MX (M = Pd, Pt; X = S, Se, Te), which has a zig-zag type mono-layer structure in the Pmma (no. 41) layer group. Band structure analysis reveals that node-line features are caused by band inversion and the inversion exists even in the absence of spin-orbital-coupling. First-principles calculations show the robust lattice stability of these predicted materials. This work provides the possibility of making a group of novel two-dimensional materials with semimetal features.

引用

页码：13112 / 13118

页数：7

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