Campus Units

Physics and Astronomy, Ames Laboratory

Document Type

Article

Publication Version

Published Version

Publication Date

2-15-2017

Journal or Book Title

Physical Review B

Volume

95

Issue

8

First Page

085116

DOI

10.1103/PhysRevB.95.085116

Abstract

BaSn2 has been shown to form as layers of buckled stanene intercalated by barium ions. However, despite an apparently straightforward synthesis and significant interest in stanene as a topological material, BaSn2 has been left largely unexplored, and has only recently been recognized as a potential topological insulator. Belonging to neither the lead nor bismuth chalcogenide families, it would represent a unique manifestation of the topological insulating phase. Here we present a detailed investigation of BaSn2, using both ab initio and experimental methods. First-principles calculations demonstrate that this overlooked material is indeed a strong, wide-gap topological insulator with a bulk band gap of 200 meV. We characterize the surface state dependence on termination chemistry, providing guidance for experimental efforts to measure and manipulate its topological properties. Additionally, through ab initio modeling and synthesis experiments, we explore the stability and accessibility of this phase, revealing a complicated phase diagram that indicates a challenging path to obtaining single crystals.

Comments

This article is published as Young, Steve M., S. Manni, Junping Shao, Paul C. Canfield, and Aleksey N. Kolmogorov. "BaSn 2: A wide-gap strong topological insulator." Physical Review B 95, no. 8 (2017): 085116. DOI: 10.1103/PhysRevB.95.085116.

Rights

Works produced by employees of the U.S. Government as part of their official duties are not copyrighted within the U.S. The content of this document is not copyrighted.

Language

en

File Format

application/pdf

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