Topological Electride Y2C

Huang, Huaqing; Jin, Kyung-Hwan; Zhang, Shunhong; Liu, Feng

doi:10.1021/acs.nanolett.7b05386

Title: Topological Electride Y₂C

Journal Article · Mon Feb 12 00:00:00 EST 2018 · Nano Letters

DOI:https://doi.org/10.1021/acs.nanolett.7b05386· OSTI ID:1484759

^[1];

^[1]; Zhang, Shunhong ^[2];

^[3]

Univ. of Utah, Salt Lake City, UT (United States). Dept. of Materials Science and Engineering
Tsinghua Univ., Beijing (China). Inst. for Advanced Study
Univ. of Utah, Salt Lake City, UT (United States). Dept. of Materials Science and Engineering; Collaborative Innovation Center of Quantum Matter, Beijing (China)

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.

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Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: FG02-04ER46148

OSTI ID:: 1484759

Journal Information:: Nano Letters, Vol. 18, Issue 3; ISSN 1530-6984

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 53 works

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