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Pseudo Dirac nodal sphere semimetal

Journal Article · · Physical Review B
 [1];  [2];  [3];  [4];  [5];  [6];  [7];  [5]
  1. Beijing Computational Science Research Center (China); DOE/OSTI
  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. Beijing Computational Science Research Center (China)
  6. Tsinghua Univ., Beijing (China); Collaborative Innovation Center of Quantum Matter, Beijing (China)
  7. Univ. of Utah, Salt Lake City, UT (United States); Collaborative Innovation Center of Quantum Matter, Beijing (China)
+ Show Author Affiliations

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.

Research Organization:
Univ. of Utah, Salt Lake City, UT (United States)
Sponsoring Organization:
USDOE Office of Science (SC); NSFC
Grant/Contract Number:
FG02-04ER46148
OSTI ID:
1609550
Alternate ID(s):
OSTI ID: 1492139
Journal Information:
Physical Review B, Journal Name: Physical Review B Journal Issue: 20 Vol. 98; ISSN 2469-9950; ISSN PRBMDO
Publisher:
American Physical Society (APS)Copyright Statement
Country of Publication:
United States
Language:
English

References (38)

Syntheses and crystal structures of Tl5Se2Cl and Tl5Se2Br journal July 1994
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal July 1996
Neodymium trihydride, NdH3, with tysonite type structure journal December 2000
First-principles study of Si3N2 journal January 2015
CRYSTAL STRUCTURES OF SOME LANTHANIDE HYDRIDES 1 journal January 1962
Yttrium and lanthanum hydride films with switchable optical properties journal March 1996
CaTe: a new topological node-line and Dirac semimetal journal January 2017
The structure of HoD3 journal January 1964
Hybrid functionals based on a screened Coulomb potential journal May 2003
Symmetry demanded topological nodal-line materials journal January 2018
Interconfiguration fluctuation of cerium in CeN as a function of temperature and pressure journal March 1979
Displacive ordering in the hydrogen sublattice of yttrium trihydride journal January 2006
Topological semimetals predicted from first-principles calculations journal June 2016
Topological nodal line semimetals journal November 2016
High-pressure phase transitions in CaTe and SrTe journal September 1985
Projector augmented-wave method journal December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set journal October 1996
Maximally localized generalized Wannier functions for composite energy bands journal November 1997
Maximally localized Wannier functions for entangled energy bands journal December 2001
Topological nodal semimetals journal December 2011
Topological node-line semimetal in three-dimensional graphene networks journal July 2015
Node-surface and node-line fermions from nonsymmorphic lattice symmetries journal February 2016
Crossing-line-node semimetals: General theory and application to rare-earth trihydrides journal June 2017
Robust doubly charged nodal lines and nodal surfaces in centrosymmetric systems journal October 2017
Weyl nodal surfaces journal February 2018
Nodal surface semimetals: Theory and material realization journal March 2018
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
Hydrogen Clathrate Structures in Rare Earth Hydrides at High Pressures: Possible Route to Room-Temperature Superconductivity journal September 2017
Generalized Gradient Approximation Made Simple journal October 1996
Isotope Effects in Switchable Metal-Hydride Mirrors journal November 1999
Electronic Structure of the Y H 3 Phase from Angle-Resolved Photoemission Spectroscopy journal May 2003
Colloquium: Topological insulators journal November 2010
Topological insulators and superconductors journal October 2011
Colloquium : Topological band theory journal June 2016
Classification of topological quantum matter with symmetries journal August 2016
Weyl and Dirac semimetals in three-dimensional solids journal January 2018

Cited By (7)

Robust topological nodal lines in halide carbides journal January 2019
A 2D nonsymmorphic Dirac semimetal in a chemically modified group-VA monolayer with a black phosphorene structure journal January 2019
Topological nodal lines and hybrid Weyl nodes in YCoC 2 journal October 2019
Weyl nodes and magnetostructural instability in antiperovskite Mn 3 ZnC journal December 2019
Coulomb-induced instabilities of nodal surfaces journal December 2018
Coulomb-induced instabilities of nodal surfaces text January 2018
Topological nodal lines and hybrid Weyl nodes in YCoC$_2$ text January 2019

Figures / Tables (5)

FIG. 1(p. 2)figure FIG. 1
FIG. 2(p. 3)figure FIG. 2
FIG. 3(p. 4)figure FIG. 3
TABLE I(p. 4)table TABLE I
FIG. 4(p. 5)figure FIG. 4

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Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
first-principles calculations
materials science
physics
topological materials
topological phases of matter