• Complex
  • Title
  • Keyword
  • Abstract
  • Scholars
  • Journal
  • ISSN
  • Conference
搜索

Author:

Jiang, J. (Jiang, J..) | Meng, W. (Meng, W..) | Jin, L. (Jin, L..) | Gao, H. (Gao, H..) | Zhang, X. (Zhang, X..)

Indexed by:

EI Scopus SCIE

Abstract:

Electrides have attracted significant attention in the fields of physics, materials science, and chemistry due to their distinctive electron properties characterized by weak nuclear binding. In this study, based on first-principles calculations and symmetry analysis, we report that the pure zirconium with alpha-phase (α-Zr) is expected to be the electrically neutral electride with topological nodal loop. Furthermore, the nodal loop located at the kz = 0 plane exhibits a clear drumhead-like surface state. The energy levels of the topological nodal loop can be regulated by applying uniaxial strain, resulting in the topological nodal loop being closer to the Fermi level. Remarkably, the work function of the electride Zr shows a significant anisotropy along the (001), (100), and (110) directions, particularly with a low work function of 3.14 eV along the (110) surface. Therefore, we predict that α-Zr provides a promising platform for future research on topological electrides. © 2024 IOP Publishing Ltd.

Keyword:

DFT calculations work function inorganic electride topological nodal loop

Author Community:

  • [ 1 ] [Jiang J.]Hebei Engineering Laboratory of Photoelectronic Functional Crystals, School of Materials Science and Engineering, Hebei University of Technology, Tianjin, 300130, China
  • [ 2 ] [Meng W.]College of Physics, Hebei Key Laboratory of Photophysics Research and Application, Hebei Normal University, Shijiazhuang, 050024, China
  • [ 3 ] [Gao H.]School of Physics and Optoelectronic Engineering, Beijing University of Technology, No.100, Pingleyuan, Chaoyang District, Beijing, China
  • [ 4 ] [Zhang X.]Hebei Engineering Laboratory of Photoelectronic Functional Crystals, School of Materials Science and Engineering, Hebei University of Technology, Tianjin, 300130, China

Reprint Author's Address:

Email:

Show more details

Related Keywords:

Source :

Journal of Physics Condensed Matter

ISSN: 0953-8984

Year: 2024

Issue: 30

Volume: 36

2 . 7 0 0

JCR@2022

Cited Count:

WoS CC Cited Count:

SCOPUS Cited Count: 1

ESI Highly Cited Papers on the List: 0 Unfold All

WanFang Cited Count:

Chinese Cited Count:

30 Days PV: 3

Affiliated Colleges:

Online/Total:889/10680379
Address:BJUT Library(100 Pingleyuan,Chaoyang District,Beijing 100124, China Post Code:100124) Contact Us:010-67392185
Copyright:BJUT Library Technical Support:Beijing Aegean Software Co., Ltd.