Journal
NANO LETTERS
Volume 18, Issue 3, Pages 1972-1977Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.nanolett.7b05386
Keywords
Electronic topology; electride; yittrium hypocarbide; first-principles calculations; topological surface state
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Funding
- U.S. DOE-BES [DE-FG02-04ER46148]
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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 Z(2) topology in the electronic structures of 2D electride Y2C. Based on first principles calculations, we found a topological Z(2) 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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