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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 Ag 2BiO 3, 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 Ag 2BiO 3. 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 Ag 2BiO 3 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 Laboratory (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
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.
@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}
}

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