Topological crystalline insulators and Dirac octets in antiperovskites

被引：144
作者：
Hsieh, Timothy H. [1 ]
Liu, Junwei [1 ]
Fu, Liang [1 ]
机构：
[1] MIT, Dept Phys, Cambridge, MA 02139 USA
来源：
PHYSICAL REVIEW B | 2014年 / 90卷 / 08期
关键词：
TOTAL-ENERGY CALCULATIONS; AUGMENTED-WAVE METHOD; PHASE-TRANSITION; BASIS-SET; HETEROSTRUCTURES; INTERFACE; METALS; SNTE;
D O I：
10.1103/PhysRevB.90.081112
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
We predict a class of topological crystalline insulators in the antiperovskite material family with the chemical formula A(3)BX. Here the nontrivial topology arises from band inversion between two J = 3/2 quartets, which is described by a generalized Dirac equation for a "Dirac octet." Our work suggests that antiperovskites are a promising venue for exploring the cooperative interplay between band topology, crystal symmetry, and electron correlation.
引用
收藏
页数：5
相关论文
共 50 条
  • [21] Kindermann M., ARXIV13091667
  • [22] From ultrasoft pseudopotentials to the projector augmented-wave method
    Kresse, G
    Joubert, D
    [J]. PHYSICAL REVIEW B, 1999, 59 (03): : 1758 - 1775
  • [23] Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
    Kresse, G
    Furthmuller, J
    [J]. COMPUTATIONAL MATERIALS SCIENCE, 1996, 6 (01) : 15 - 50
  • [24] AB-INITIO MOLECULAR-DYNAMICS FOR OPEN-SHELL TRANSITION-METALS
    KRESSE, G
    HAFNER, J
    [J]. PHYSICAL REVIEW B, 1993, 48 (17): : 13115 - 13118
  • [25] Influence of the exchange screening parameter on the performance of screened hybrid functionals
    Krukau, Aliaksandr V.
    Vydrov, Oleg A.
    Izmaylov, Artur F.
    Scuseria, Gustavo E.
    [J]. JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (22)
  • [26] Liu C.-X., ARXIV13046455
  • [27] Liu JW, 2014, NAT MATER, V13, P178, DOI [10.1038/NMAT3828, 10.1038/nmat3828]
  • [28] Antiferromagnetic topological insulators
    Mong, Roger S. K.
    Essin, Andrew M.
    Moore, Joel E.
    [J]. PHYSICAL REVIEW B, 2010, 81 (24):
  • [29] The birth of topological insulators
    Moore, Joel E.
    [J]. NATURE, 2010, 464 (7286) : 194 - 198
  • [30] Observation of Dirac Node Formation and Mass Acquisition in a Topological Crystalline Insulator
    Okada, Yoshinori
    Serbyn, Maksym
    Lin, Hsin
    Walkup, Daniel
    Zhou, Wenwen
    Dhital, Chetan
    Neupane, Madhab
    Xu, Suyang
    Wang, Yung Jui
    Sankar, R.
    Chou, Fangcheng
    Bansil, Arun
    Hasan, M. Zahid
    Wilson, Stephen D.
    Fu, Liang
    Madhavan, Vidya
    [J]. SCIENCE, 2013, 341 (6153) : 1496 - 1499
12345