Three-dimensional topological critical Dirac semimetal in $A\mathrm{MgBi}\phantom{\rule{0.16em}{0ex}}(A=$ K, Rb, Cs)

Three-dimensional topological critical Dirac semimetal in $A MgBi (A =$ K, Rb, Cs)

Congcong Le, Shengshan Qin, Xianxin Wu, Xia Dai, Peiyuan Fu, Chen Fang, and Jiangping Hu

Phys. Rev. B 96, 115121 – Published 12 September 2017

Abstract

We predicted, using first principles calculation, that $A MgBi$ ( $A =$ K, Rb, Cs) are symmetry-protected topological semimetals near the boundary of type-I and type-II Dirac semimetal phases, dubbed topological critical Dirac semimetals. In-plane compressive strain or doping Rb or Cs into KMgBi can drive the transition between the two phases. An effective theory is developed to describe the bands near the Fermi energy, by which we calculate the surface Fermi arcs and the Landau levels throughout the transition. We predict the key features of critical Dirac semimetals that can be observed in photoemission, quantum oscillation, and transport measurements.

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Received 31 July 2016
Revised 16 August 2017

DOI:https://doi.org/10.1103/PhysRevB.96.115121

Physics Subject Headings (PhySH)

Electronic structure Fermi surface Topological phases of matter

Dirac semimetal

Density functional calculations Density functional theory

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

Congcong Le^1,2, Shengshan Qin^1,3, Xianxin Wu^1,4, Xia Dai¹, Peiyuan Fu¹, Chen Fang¹, and Jiangping Hu^1,2,5,*

¹Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, China
²Kavli Institute of Theoretical Sciences, University of Chinese Academy of Sciences, Beijing, 100049, China
³University of Chinese Academy of Science, Beijing 100049, China
⁴Institute for Theoretical Physics and Astrophysics, Julius-Maximilians University of Wurzburg, Am Hubland, D-97074 Wurzburg, Germany
⁵Collaborative Innovation Center of Quantum Matter, Beijing 100049, China

^*jphu@iphy.ac.cn

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Vol. 96, Iss. 11 — 15 September 2017

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Physical Review B

covering condensed matter and materials physics

Three-dimensional topological critical Dirac semimetal in $A MgBi (A =$ K, Rb, Cs)

Congcong Le, Shengshan Qin, Xianxin Wu, Xia Dai, Peiyuan Fu, Chen Fang, and Jiangping Hu

Phys. Rev. B 96, 115121 – Published 12 September 2017

Abstract

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Physical Review B

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Three-dimensional topological critical Dirac semimetal in AMgBi(A= K, Rb, Cs)

Congcong Le, Shengshan Qin, Xianxin Wu, Xia Dai, Peiyuan Fu, Chen Fang, and Jiangping Hu

Phys. Rev. B 96, 115121 – Published 12 September 2017

Abstract

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Three-dimensional topological critical Dirac semimetal in $A MgBi (A =$ K, Rb, Cs)