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Title: Topological Electride Y 2 C

Abstract

Two-dimensional (2D) electrides are layered ionic crystals in which anionic electrons are confined in the interlayer space. Here, we report a discovery of nontrivial topology in the electronic structures of 2D electride Y2C. Based on first-principles calculations, we found a topological invariant of (1; 111) for the bulk band and topologically protected surface states in the surfaces of Y2C, signifying its nontrivial electronic topology. We suggest a spin-resolved angle-resolved photoemission spectroscopy (ARPES) measurement to detect the unique helical spin texture of the spin-polarized topological surface state, which will provide characteristic evidence for the nontrivial electronic topology of Y2C. Furthermore, the coexistence of 2D surface electride states and topological surface state enables us to explain the outstanding discrepancy between the recent ARPES experiments and theoretical calculations. Our findings establish a preliminary link between the electride in chemistry and the band topology in condensed-matter physics, which are expected to inspire further interdisciplinary research between these fields.

Authors:
ORCiD logo [1]; ORCiD logo [1];  [2]; ORCiD logo [3]
  1. Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, United States
  2. Institute for Advanced Study, Tsinghua University, Beijing 100084, China
  3. Department of Materials Science and Engineering, University of Utah, Salt Lake City, Utah 84112, United States; Collaborative Innovation Center of Quantum Matter, Beijing 100084, China
Publication Date:
Research Org.:
Lawrence Berkeley National Laboratory-National Energy Research Scientific Computing Center
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1484759
DOE Contract Number:  
FG02-04ER46148
Resource Type:
Journal Article
Journal Name:
Nano Letters
Additional Journal Information:
Journal Volume: 18; Journal Issue: 3; Journal ID: ISSN 1530-6984
Country of Publication:
United States
Language:
English

Citation Formats

Huang, Huaqing, Jin, Kyung-Hwan, Zhang, Shunhong, and Liu, Feng. Topological Electride Y 2 C. United States: N. p., 2018. Web. doi:10.1021/acs.nanolett.7b05386.
Huang, Huaqing, Jin, Kyung-Hwan, Zhang, Shunhong, & Liu, Feng. Topological Electride Y 2 C. United States. doi:10.1021/acs.nanolett.7b05386.
Huang, Huaqing, Jin, Kyung-Hwan, Zhang, Shunhong, and Liu, Feng. Mon . "Topological Electride Y 2 C". United States. doi:10.1021/acs.nanolett.7b05386.
@article{osti_1484759,
title = {Topological Electride Y 2 C},
author = {Huang, Huaqing and Jin, Kyung-Hwan and Zhang, Shunhong and Liu, Feng},
abstractNote = {Two-dimensional (2D) electrides are layered ionic crystals in which anionic electrons are confined in the interlayer space. Here, we report a discovery of nontrivial topology in the electronic structures of 2D electride Y2C. Based on first-principles calculations, we found a topological invariant of (1; 111) for the bulk band and topologically protected surface states in the surfaces of Y2C, signifying its nontrivial electronic topology. We suggest a spin-resolved angle-resolved photoemission spectroscopy (ARPES) measurement to detect the unique helical spin texture of the spin-polarized topological surface state, which will provide characteristic evidence for the nontrivial electronic topology of Y2C. Furthermore, the coexistence of 2D surface electride states and topological surface state enables us to explain the outstanding discrepancy between the recent ARPES experiments and theoretical calculations. Our findings establish a preliminary link between the electride in chemistry and the band topology in condensed-matter physics, which are expected to inspire further interdisciplinary research between these fields.},
doi = {10.1021/acs.nanolett.7b05386},
journal = {Nano Letters},
issn = {1530-6984},
number = 3,
volume = 18,
place = {United States},
year = {2018},
month = {2}
}