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Title: Pseudo Dirac nodal sphere semimetal

Abstract

Topological semimetals (TSMs) in which conduction and valence bands cross at zero-dimensional (0D) Dirac nodal points (DNPs) or 1D Dirac nodal lines (DNLs), in 3D momentum space, have recently drawn much attention due to their exotic electronic properties. Here, we generalize the TSM state further to a higher-dimensional Dirac nodal sphere (DNS) or pseudo DNS (PDNS) state, with the band crossings forming a 2D closed or approximate sphere at the Fermi level. This TSM state can exhibit unique electronic properties, making DNS/PDNS a type of fermion beyond the DNP/DNL paradigm. In realistic crystals, we demonstrate two possible types of PDNS states underlain by different crystalline symmetries, which are characterized with a spherical backbone consisting of multiple DNLs and approximate band degeneracy in between the DNLs. Here, we identify all the possible band crossings with pairs of 1D irreducible representations to form the PDNS states in 32 point groups. Importantly, we discover that strained MH 3 ( M = Y , Ho, Tb, Nd) and Si 3N 2 are material candidates to realize these two types of PDNS states, respectively. As a high-symmetry-required state, the PDNS semimetal can be regarded as the “parent phase” for other topological gapped and gapless states.

Authors:
 [1];  [2];  [3];  [4];  [1];  [5];  [6];  [1]
  1. Beijing Computational Science Research Center (China)
  2. Tsinghua Univ., Beijing (China)
  3. Univ. of Utah, Salt Lake City, UT (United States)
  4. Tsinghua Univ., Beijing (China); Beijing Computational Science Research Center (China)
  5. Tsinghua Univ., Beijing (China); Collaborative Innovation Center of Quantum Matter, Beijing (China)
  6. Univ. of Utah, Salt Lake City, UT (United States); Collaborative Innovation Center of Quantum Matter, Beijing (China)
Publication Date:
Research Org.:
Univ. of Utah, Salt Lake City, UT (United States)
Sponsoring Org.:
USDOE Office of Science (SC); NSFC
OSTI Identifier:
1609550
Alternate Identifier(s):
OSTI ID: 1492139
Grant/Contract Number:  
FG02-04ER46148; 11574024; 2016YFA0301001; 11674188; 11334006
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Volume: 98; Journal Issue: 20; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; materials science; physics; first-principles calculations; topological materials; topological phases of matter

Citation Formats

Wang, Jianfeng, Liu, Yizhou, Jin, Kyung-Hwan, Sui, Xuelei, Zhang, Lizhi, Duan, Wenhui, Liu, Feng, and Huang, Bing. Pseudo Dirac nodal sphere semimetal. United States: N. p., 2018. Web. doi:10.1103/physrevb.98.201112.
Wang, Jianfeng, Liu, Yizhou, Jin, Kyung-Hwan, Sui, Xuelei, Zhang, Lizhi, Duan, Wenhui, Liu, Feng, & Huang, Bing. Pseudo Dirac nodal sphere semimetal. United States. https://doi.org/10.1103/physrevb.98.201112
Wang, Jianfeng, Liu, Yizhou, Jin, Kyung-Hwan, Sui, Xuelei, Zhang, Lizhi, Duan, Wenhui, Liu, Feng, and Huang, Bing. Mon . "Pseudo Dirac nodal sphere semimetal". United States. https://doi.org/10.1103/physrevb.98.201112. https://www.osti.gov/servlets/purl/1609550.
@article{osti_1609550,
title = {Pseudo Dirac nodal sphere semimetal},
author = {Wang, Jianfeng and Liu, Yizhou and Jin, Kyung-Hwan and Sui, Xuelei and Zhang, Lizhi and Duan, Wenhui and Liu, Feng and Huang, Bing},
abstractNote = {Topological semimetals (TSMs) in which conduction and valence bands cross at zero-dimensional (0D) Dirac nodal points (DNPs) or 1D Dirac nodal lines (DNLs), in 3D momentum space, have recently drawn much attention due to their exotic electronic properties. Here, we generalize the TSM state further to a higher-dimensional Dirac nodal sphere (DNS) or pseudo DNS (PDNS) state, with the band crossings forming a 2D closed or approximate sphere at the Fermi level. This TSM state can exhibit unique electronic properties, making DNS/PDNS a type of fermion beyond the DNP/DNL paradigm. In realistic crystals, we demonstrate two possible types of PDNS states underlain by different crystalline symmetries, which are characterized with a spherical backbone consisting of multiple DNLs and approximate band degeneracy in between the DNLs. Here, we identify all the possible band crossings with pairs of 1D irreducible representations to form the PDNS states in 32 point groups. Importantly, we discover that strained MH3 ( M = Y , Ho, Tb, Nd) and Si3N2 are material candidates to realize these two types of PDNS states, respectively. As a high-symmetry-required state, the PDNS semimetal can be regarded as the “parent phase” for other topological gapped and gapless states.},
doi = {10.1103/physrevb.98.201112},
url = {https://www.osti.gov/biblio/1609550}, journal = {Physical Review B},
issn = {2469-9950},
number = 20,
volume = 98,
place = {United States},
year = {2018},
month = {11}
}

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Works referenced in this record:

Neodymium trihydride, NdH3, with tysonite type structure
journal, December 2000


Generalized Gradient Approximation Made Simple
journal, October 1996


Topological insulators and superconductors
journal, October 2011


Weyl and Dirac semimetals in three-dimensional solids
journal, January 2018


Projector augmented-wave method
journal, December 1994


Syntheses and crystal structures of Tl5Se2Cl and Tl5Se2Br
journal, July 1994


Hybrid functionals based on a screened Coulomb potential
journal, May 2003


CaTe: a new topological node-line and Dirac semimetal
journal, January 2017


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


CRYSTAL STRUCTURES OF SOME LANTHANIDE HYDRIDES 1
journal, January 1962


Electronic Structure of the Y H 3 Phase from Angle-Resolved Photoemission Spectroscopy
journal, May 2003


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


The structure of HoD3
journal, January 1964


Isotope Effects in Switchable Metal-Hydride Mirrors
journal, November 1999


Node-surface and node-line fermions from nonsymmorphic lattice symmetries
journal, February 2016


Colloquium: Topological insulators
journal, November 2010


Colloquium : Topological band theory
journal, June 2016


Displacive ordering in the hydrogen sublattice of yttrium trihydride
journal, January 2006


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


Interconfiguration fluctuation of cerium in CeN as a function of temperature and pressure
journal, March 1979


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


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


Symmetry demanded topological nodal-line materials
journal, January 2018


Topological nodal semimetals
journal, December 2011


Classification of topological quantum matter with symmetries
journal, August 2016


Predicted High-Temperature Superconducting State in the Hydrogen-Dense Transition-Metal Hydride YH 3 at 40 K and 17.7 GPa
journal, August 2009


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


Yttrium and lanthanum hydride films with switchable optical properties
journal, March 1996


Crossing-line-node semimetals: General theory and application to rare-earth trihydrides
journal, June 2017


Weyl nodal surfaces
journal, February 2018


First-principles study of Si3N2
journal, January 2015


Topological nodal line semimetals
journal, November 2016


Nodal surface semimetals: Theory and material realization
journal, March 2018


Robust doubly charged nodal lines and nodal surfaces in centrosymmetric systems
journal, October 2017


Maximally localized Wannier functions for entangled energy bands
journal, December 2001


High-pressure phase transitions in CaTe and SrTe
journal, September 1985


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