First-principles modeling of binary layered topological insulators: Structural optimization and exchange-correlation functionals

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Authors: Thomas K. Reid, S. Pamir Alpay, Alexander V. Balatsky, and Sanjeev K. Nayak

Journal title: Physical Review B

Journal publisher: American Physical Society

Published year: 2020

DOI identifier: 10.1103/physrevb.101.085140

ISSN: 2469-9950