skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Topological Hourglass Dirac Semimetal in the Nonpolar Phase of Ag 2 BiO 3

Abstract

Materials with tunable charge and lattice degrees of freedom provide excellent platforms for investigating multiple phases that can be controlled via external stimuli. We show how the charge-ordered ferroelectric oxide Ag2BiO3, which has been realized experimentally, presents a unique exemplar of a metal-insulator transition under an external electric field. Our first-principles calculations, combined with a symmetry analysis, reveal the presence of a nearly ideal hourglass-Dirac-semimetal state in the nonpolar structure of Ag2BiO3. The low-energy band structure consists of two hourglasslike nodal lines located on two mutually orthogonal glide-mirror planes in the absence of spin-orbit coupling (SOC) effects. These lines cross at a common point and form an interlinked chainlike structure, which extends beyond the first Brillouin zone. Inclusion of the SOC opens a small gap in the nodal lines and results in two symmetry-enforced hourglasslike Dirac points on the $$\tilde{C}$$2y screw rotation axis. Our results indicate that Ag2BiO3 will provide an ideal platform for exploring the ferroelectric-semiconductor to Dirac-semimetal transition by the application of an external electric field.

Authors:
 [1];  [2];  [3];  [4];  [2];  [5]
  1. Shenzhen Univ. (China); Northeastern Univ., Boston, MA (United States)
  2. Indian Inst. of Technology (IIT), Kanpur (India)
  3. Shenzhen Univ. (China)
  4. Academia Sinica, Taipei (Taiwan)
  5. Northeastern Univ., Boston, MA (United States)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1544158
Alternate Identifier(s):
OSTI ID: 1483447
Grant/Contract Number:  
FG02-07ER46352
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 121; Journal Issue: 22; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Singh, Bahadur, Ghosh, Barun, Su, Chenliang, Lin, Hsin, Agarwal, Amit, and Bansil, Arun. Topological Hourglass Dirac Semimetal in the Nonpolar Phase of Ag2BiO3. United States: N. p., 2018. Web. doi:10.1103/PhysRevLett.121.226401.
Singh, Bahadur, Ghosh, Barun, Su, Chenliang, Lin, Hsin, Agarwal, Amit, & Bansil, Arun. Topological Hourglass Dirac Semimetal in the Nonpolar Phase of Ag2BiO3. United States. doi:10.1103/PhysRevLett.121.226401.
Singh, Bahadur, Ghosh, Barun, Su, Chenliang, Lin, Hsin, Agarwal, Amit, and Bansil, Arun. Tue . "Topological Hourglass Dirac Semimetal in the Nonpolar Phase of Ag2BiO3". United States. doi:10.1103/PhysRevLett.121.226401. https://www.osti.gov/servlets/purl/1544158.
@article{osti_1544158,
title = {Topological Hourglass Dirac Semimetal in the Nonpolar Phase of Ag2BiO3},
author = {Singh, Bahadur and Ghosh, Barun and Su, Chenliang and Lin, Hsin and Agarwal, Amit and Bansil, Arun},
abstractNote = {Materials with tunable charge and lattice degrees of freedom provide excellent platforms for investigating multiple phases that can be controlled via external stimuli. We show how the charge-ordered ferroelectric oxide Ag2BiO3, which has been realized experimentally, presents a unique exemplar of a metal-insulator transition under an external electric field. Our first-principles calculations, combined with a symmetry analysis, reveal the presence of a nearly ideal hourglass-Dirac-semimetal state in the nonpolar structure of Ag2BiO3. The low-energy band structure consists of two hourglasslike nodal lines located on two mutually orthogonal glide-mirror planes in the absence of spin-orbit coupling (SOC) effects. These lines cross at a common point and form an interlinked chainlike structure, which extends beyond the first Brillouin zone. Inclusion of the SOC opens a small gap in the nodal lines and results in two symmetry-enforced hourglasslike Dirac points on the $\tilde{C}$2y screw rotation axis. Our results indicate that Ag2BiO3 will provide an ideal platform for exploring the ferroelectric-semiconductor to Dirac-semimetal transition by the application of an external electric field.},
doi = {10.1103/PhysRevLett.121.226401},
journal = {Physical Review Letters},
number = 22,
volume = 121,
place = {United States},
year = {2018},
month = {11}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record

Citation Metrics:
Cited by: 7 works
Citation information provided by
Web of Science

Save / Share:

Works referenced in this record:

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


Observation of the Chiral-Anomaly-Induced Negative Magnetoresistance in 3D Weyl Semimetal TaAs
journal, August 2015


Charge ordering in Ag2BiO3
journal, March 2006


Hourglass fermions
journal, April 2016

  • Wang, Zhijun; Alexandradinata, A.; Cava, R. J.
  • Nature, Vol. 532, Issue 7598
  • DOI: 10.1038/nature17410

Three-dimensional Dirac semimetal and quantum transport in Cd 3 As 2
journal, September 2013


Classification of stable three-dimensional Dirac semimetals with nontrivial topology
journal, September 2014

  • Yang, Bohm-Jung; Nagaosa, Naoto
  • Nature Communications, Vol. 5, Issue 1
  • DOI: 10.1038/ncomms5898

Colloquium : Topological band theory
journal, June 2016


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Flat bands in topological media
journal, October 2011


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

Maximally localized generalized Wannier functions for composite energy bands
journal, November 1997


Topological Crystalline Insulators
journal, March 2011


Dirac Semimetal in Three Dimensions
journal, April 2012


Experimental Discovery of Weyl Semimetal TaAs
journal, July 2015


Epitaxial Stabilization of Oxides in Thin Films
journal, October 2002

  • Gorbenko, O. Yu.; Samoilenkov, S. V.; Graboy, I. E.
  • Chemistry of Materials, Vol. 14, Issue 10
  • DOI: 10.1021/cm021111v

Giant Friedel Oscillations on the Beryllium(0001) Surface
journal, March 1997


Symmetry Considerations on Martensitic Transformations: "Ferroelectric" Metals?
journal, February 1965


Tunable metal-insulator transition, Rashba effect and Weyl Fermions in a relativistic charge-ordered ferroelectric oxide
journal, February 2018


Bismuth in Ag2BiO3: Tetravalent or Internally Disproportionated?
journal, October 1999


Symmetry-based indicators of band topology in the 230 space groups
journal, June 2017


Topological electronic structure and Weyl semimetal in the TlBiSe 2 class of semiconductors
journal, September 2012


Anomalous Hall Effect in Weyl Metals
journal, October 2014


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

Computational Approach for Epitaxial Polymorph Stabilization through Substrate Selection
journal, May 2016

  • Ding, Hong; Dwaraknath, Shyam S.; Garten, Lauren
  • ACS Applied Materials & Interfaces, Vol. 8, Issue 20
  • DOI: 10.1021/acsami.6b01630

Saddle-like topological surface states on the T T X family of compounds ( T ,   T = Transition metal, X = Si , Ge)
journal, February 2018


Nonsymmorphic symmetry-required band crossings in topological semimetals
journal, November 2016


Hourglasslike nodal net semimetal in Ag 2 BiO 3
journal, August 2018


Ultrahigh mobility and giant magnetoresistance in the Dirac semimetal Cd3As2
journal, November 2014

  • Liang, Tian; Gibson, Quinn; Ali, Mazhar N.
  • Nature Materials, Vol. 14, Issue 3
  • DOI: 10.1038/nmat4143

From Nodal Chain Semimetal to Weyl Semimetal in HfC
journal, July 2017


Spinless hourglass nodal-line semimetals
journal, October 2017


Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965


A ferroelectric-like structural transition in a metal
journal, September 2013

  • Shi, Youguo; Guo, Yanfeng; Wang, Xia
  • Nature Materials, Vol. 12, Issue 11
  • DOI: 10.1038/nmat3754

Nodal-chain metals
journal, August 2016

  • Bzdušek, Tomáš; Wu, QuanSheng; Rüegg, Andreas
  • Nature, Vol. 538, Issue 7623
  • DOI: 10.1038/nature19099

Topological nodal-line fermions in spin-orbit metal PbTaSe2
journal, February 2016

  • Bian, Guang; Chang, Tay-Rong; Sankar, Raman
  • Nature Communications, Vol. 7, Issue 1
  • DOI: 10.1038/ncomms10556

Nonsymmorphic cubic Dirac point and crossed nodal rings across the ferroelectric phase transition in LiOsO 3
journal, May 2018


Colloquium: Topological insulators
journal, November 2010


Topological nodal line semimetals with and without spin-orbital coupling
journal, August 2015


Discovery of Lorentz-violating type II Weyl fermions in LaAlGe
journal, June 2017


Discovery of a Three-Dimensional Topological Dirac Semimetal, Na3Bi
journal, January 2014


Hourglass Dirac chain metal in rhenium dioxide
journal, November 2017


Hourglass semimetals with nonsymmorphic symmetries in three dimensions
journal, August 2017


Ferroelectric Oxides with Strong Visible-Light Absorption from Charge Ordering
journal, November 2016


Bilbao Crystallographic Server. II. Representations of crystallographic point groups and space groups
journal, March 2006

  • Aroyo, Mois I.; Kirov, Asen; Capillas, Cesar
  • Acta Crystallographica Section A Foundations of Crystallography, Vol. 62, Issue 2
  • DOI: 10.1107/S0108767305040286

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


Experimental evidence of hourglass fermion in the candidate nonsymmorphic topological insulator KHgSb
journal, May 2017


Topological Insulators in Three Dimensions
journal, March 2007


Dirac semimetal and topological phase transitions in A 3 Bi ( A = Na , K, Rb)
journal, May 2012


Dirac Semimetals in Two Dimensions
journal, September 2015


WannierTools: An open-source software package for novel topological materials
journal, March 2018


Beyond Dirac and Weyl fermions: Unconventional quasiparticles in conventional crystals
journal, July 2016


Correlation effects and quantum oscillations in topological nodal-loop semimetals
journal, February 2017


Signature of type-II Weyl semimetal phase in MoTe2
journal, January 2017

  • Jiang, J.; Liu, Z. K.; Sun, Y.
  • Nature Communications, Vol. 8, Issue 1
  • DOI: 10.1038/ncomms13973

A stable three-dimensional topological Dirac semimetal Cd3As2
journal, May 2014

  • Liu, Z. K.; Jiang, J.; Zhou, B.
  • Nature Materials, Vol. 13, Issue 7
  • DOI: 10.1038/nmat3990

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


Electric-field breakdown of the insulating charge-ordered state in LuFe 2 O 4 thin films
journal, March 2013