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Title: Topological semimetal in honeycomb lattice LnSI

Abstract

Recognized as elementary particles in the standard model, Weyl fermions in condensed matter have received growing attention. However, most of the previously reported Weyl semimetals exhibit rather complicated electronic structures that, in turn, may have raised questions regarding the underlying physics. Here, we report promising topological phases that can be realized in specific honeycomb lattices, including ideal Weyl semimetal structures, 3D strong topological insulators, and nodal-line semimetal configurations. In particular, we highlight a semimetal featuring both Weyl nodes and nodal lines. Guided by this model, we showed that GdSI, the long-perceived ideal Weyl semimetal, has two pairs of Weyl nodes residing at the Fermi level and that LuSI (YSI) is a 3D strong topological insulator with the right-handed helical surface states. Our work provides a mechanism to study topological semimetals and proposes a platform for exploring the physics of Weyl semimetals as well as related device designs.

Authors:
; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1393267
Grant/Contract Number:  
AC02-76SF00515
Resource Type:
Published Article
Journal Name:
Proceedings of the National Academy of Sciences of the United States of America
Additional Journal Information:
Journal Name: Proceedings of the National Academy of Sciences of the United States of America Journal Volume: 114 Journal Issue: 40; Journal ID: ISSN 0027-8424
Publisher:
Proceedings of the National Academy of Sciences
Country of Publication:
United States
Language:
English

Citation Formats

Nie, Simin, Xu, Gang, Prinz, Fritz B., and Zhang, Shou-cheng. Topological semimetal in honeycomb lattice LnSI. United States: N. p., 2017. Web. doi:10.1073/pnas.1713261114.
Nie, Simin, Xu, Gang, Prinz, Fritz B., & Zhang, Shou-cheng. Topological semimetal in honeycomb lattice LnSI. United States. doi:10.1073/pnas.1713261114.
Nie, Simin, Xu, Gang, Prinz, Fritz B., and Zhang, Shou-cheng. Tue . "Topological semimetal in honeycomb lattice LnSI". United States. doi:10.1073/pnas.1713261114.
@article{osti_1393267,
title = {Topological semimetal in honeycomb lattice LnSI},
author = {Nie, Simin and Xu, Gang and Prinz, Fritz B. and Zhang, Shou-cheng},
abstractNote = {Recognized as elementary particles in the standard model, Weyl fermions in condensed matter have received growing attention. However, most of the previously reported Weyl semimetals exhibit rather complicated electronic structures that, in turn, may have raised questions regarding the underlying physics. Here, we report promising topological phases that can be realized in specific honeycomb lattices, including ideal Weyl semimetal structures, 3D strong topological insulators, and nodal-line semimetal configurations. In particular, we highlight a semimetal featuring both Weyl nodes and nodal lines. Guided by this model, we showed that GdSI, the long-perceived ideal Weyl semimetal, has two pairs of Weyl nodes residing at the Fermi level and that LuSI (YSI) is a 3D strong topological insulator with the right-handed helical surface states. Our work provides a mechanism to study topological semimetals and proposes a platform for exploring the physics of Weyl semimetals as well as related device designs.},
doi = {10.1073/pnas.1713261114},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
number = 40,
volume = 114,
place = {United States},
year = {2017},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1073/pnas.1713261114

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Cited by: 7 works
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Works referenced in this record:

Topological semimetals
journal, October 2016


Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Topological insulators and superconductors
journal, October 2011


Equivalent expression of Z 2 topological invariant for band insulators using the non-Abelian Berry connection
journal, August 2011


Ideal Weyl Semimetals in the Chalcopyrites CuTlSe 2 , AgTlTe 2 , AuTlTe 2 , and ZnPbAs 2
journal, June 2016


Maximally localized Wannier functions: Theory and applications
journal, October 2012

  • Marzari, Nicola; Mostofi, Arash A.; Yates, Jonathan R.
  • Reviews of Modern Physics, Vol. 84, Issue 4
  • DOI: 10.1103/RevModPhys.84.1419

Topological semimetals predicted from first-principles calculations
journal, June 2016


Discovery of a Weyl fermion state with Fermi arcs in niobium arsenide
journal, August 2015

  • Xu, Su-Yang; Alidoust, Nasser; Belopolski, Ilya
  • Nature Physics, Vol. 11, Issue 9
  • DOI: 10.1038/nphys3437

Observation of Fermi-Arc Spin Texture in TaAs
journal, November 2015


Topological Superconductivity on the Surface of Fe-Based Superconductors
journal, July 2016


Experimental observation of topological Fermi arcs in type-II Weyl semimetal MoTe2
journal, September 2016

  • Deng, Ke; Wan, Guoliang; Deng, Peng
  • Nature Physics, Vol. 12, Issue 12
  • DOI: 10.1038/nphys3871

Chern Semimetal and the Quantized Anomalous Hall Effect in HgCr 2 Se 4
journal, October 2011


Signatures of the Adler–Bell–Jackiw chiral anomaly in a Weyl fermion semimetal
journal, February 2016

  • Zhang, Cheng-Long; Xu, Su-Yang; Belopolski, Ilya
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms10735

Topological nodal semimetals
journal, December 2011


Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators
journal, August 1995


Detecting the chiral magnetic effect by lattice dynamics in Weyl semimetals
journal, December 2016


Experimental Discovery of Weyl Semimetal TaAs
journal, July 2015


Topological insulator to Dirac semimetal transition driven by sign change of spin-orbit coupling in thallium nitride
journal, December 2014


Constructing a Weyl semimetal by stacking one-dimensional topological phases
journal, March 2015


Observation of Weyl nodes in TaAs
journal, August 2015

  • Lv, B. Q.; Xu, N.; Weng, H. M.
  • Nature Physics, Vol. 11, Issue 9
  • DOI: 10.1038/nphys3426

Dirac Line Nodes in Inversion-Symmetric Crystals
journal, July 2015


Topological Node-Line Semimetal and Dirac Semimetal State in Antiperovskite Cu 3 PdN
journal, July 2015


Weyl semimetal phase in the non-centrosymmetric compound TaAs
journal, August 2015

  • Yang, L. X.; Liu, Z. K.; Sun, Y.
  • Nature Physics, Vol. 11, Issue 9
  • DOI: 10.1038/nphys3425

Symmetry-protected ideal Weyl semimetal in HgTe-class materials
journal, April 2016

  • Ruan, Jiawei; Jian, Shao-Kai; Yao, Hong
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms11136

Negative magnetoresistance without well-defined chirality in the Weyl semimetal TaP
journal, May 2016

  • Arnold, Frank; Shekhar, Chandra; Wu, Shu-Chun
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms11615

Quick iterative scheme for the calculation of transfer matrices: application to Mo (100)
journal, May 1984

  • Sancho, M. P. Lopez; Sancho, J. M. Lopez; Rubio, J.
  • Journal of Physics F: Metal Physics, Vol. 14, Issue 5
  • DOI: 10.1088/0305-4608/14/5/016

Quantum spin Hall effect in two-dimensional transition-metal dichalcogenide haeckelites
journal, June 2015


Observation of Fermi arc and its connection with bulk states in the candidate type-II Weyl semimetal WTe 2
journal, December 2016


Type-II Weyl semimetals
journal, November 2015

  • Soluyanov, Alexey A.; Gresch, Dominik; Wang, Zhijun
  • Nature, Vol. 527, Issue 7579
  • DOI: 10.1038/nature15768

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Observation of Weyl nodes and Fermi arcs in tantalum phosphide
journal, March 2016

  • Xu, N.; Weng, H. M.; Lv, B. Q.
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms11006

Z2 Topological Order and the Quantum Spin Hall Effect
journal, September 2005


Elektron und Gravitation. I
journal, May 1929


Colloquium: Topological insulators
journal, November 2010


Quantum Spin Hall Effect in Graphene
journal, November 2005


Zur Hochdruckpolymorphie der Seltenerdsulfidiodide LnSI
journal, April 1986

  • Beck, H. P.; Strobel, C.
  • Zeitschrift f�r anorganische und allgemeine Chemie, Vol. 535, Issue 4
  • DOI: 10.1002/zaac.19865350427

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Weyl Semimetal in a Topological Insulator Multilayer
journal, September 2011


Discovery of a Weyl fermion semimetal and topological Fermi arcs
journal, July 2015


Topological node-line semimetal in three-dimensional graphene networks
journal, July 2015


Intrinsic Quantum Anomalous Hall Effect in the Kagome Lattice Cs 2 LiMn 3 F 12
journal, October 2015


Body-Centered Orthorhombic C 16 : A Novel Topological Node-Line Semimetal
journal, May 2016


The Adler-Bell-Jackiw anomaly and Weyl fermions in a crystal
journal, November 1983


Prediction of Weyl semimetal in orthorhombic MoTe 2
journal, October 2015


Chiral anomaly and classical negative magnetoresistance of Weyl metals
journal, September 2013


Multi-Weyl Topological Semimetals Stabilized by Point Group Symmetry
journal, June 2012


Dirac fermions in an antiferromagnetic semimetal
journal, August 2016

  • Tang, Peizhe; Zhou, Quan; Xu, Gang
  • Nature Physics, Vol. 12, Issue 12
  • DOI: 10.1038/nphys3839

Emergence of topological semimetals in gap closing in semiconductors without inversion symmetry
journal, May 2017

  • Murakami, Shuichi; Hirayama, Motoaki; Okugawa, Ryo
  • Science Advances, Vol. 3, Issue 5
  • DOI: 10.1126/sciadv.1602680

Topological semimetal and Fermi-arc surface states in the electronic structure of pyrochlore iridates
journal, May 2011


Highly convergent schemes for the calculation of bulk and surface Green functions
journal, April 1985

  • Sancho, M. P. Lopez; Sancho, J. M. Lopez; Sancho, J. M. L.
  • Journal of Physics F: Metal Physics, Vol. 15, Issue 4
  • DOI: 10.1088/0305-4608/15/4/009

Quantum Anomalous Hall Effect in Magnetic Insulator Heterostructure
journal, February 2015

  • Xu, Gang; Wang, Jing; Felser, Claudia
  • Nano Letters, Vol. 15, Issue 3
  • DOI: 10.1021/nl504871u

A Weyl Fermion semimetal with surface Fermi arcs in the transition metal monopnictide TaAs class
journal, June 2015

  • Huang, Shin-Ming; Xu, Su-Yang; Belopolski, Ilya
  • Nature Communications, Vol. 6, Issue 1
  • DOI: 10.1038/ncomms8373