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Journal of Computational Electronics

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21-11-2018

Hopping parameters for tunnel coupling in 2D materials

Authors: V. L. Katkov, D. A. Lobanov

Published in: Journal of Computational Electronics | Issue 1/2019

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Abstract

Using Bardeen’s approach and orbital wave functions obtained by the algorithm of Herman and Skillman, we calculated interatomic matrix elements for tunnel interaction between the atoms from the set of B, C, N, Si, P, S, Ti, V, Se, Mo, Te and W, which constitute many 2D materials. In a wide range of interatomic distances, these values are approximated by simple functions with a small set of parameters. The results are presented in reference tables. These results will be useful for describing different tunnel phenomena in low-dimensional materials using the tight-binding approach.

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Title: Hopping parameters for tunnel coupling in 2D materials
Authors: V. L. Katkov
D. A. Lobanov
Publication date: 21-11-2018
Publisher: Springer US
Published in: Journal of Computational Electronics / Issue 1/2019
Print ISSN: 1569-8025
Electronic ISSN: 1572-8137
DOI: https://doi.org/10.1007/s10825-018-1281-y

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