Assessing the role of interatomic position matrix elements in tight-binding calculations of optical properties

Electronic Structure and the Properties of Solids ,

W. A. Harrison, · 1980

Earlier work this paper cites.

The photogalvanic effect in media lacking a center of symmetry ,

V. I. Belinicher and B. I. Sturman, · 1980

Earlier work this paper cites.

Theory of the bulk photovoltaic effect in pure crystals ,

R. von Baltz and W. Kraut, · 1981

Earlier work this paper cites.

Hall effect for bulk photovoltaic current in the piezoelectric ZnS ,

V. I. Belinicher, E. L. Ivchenko and B. I. Sturman, · 1982

Earlier work this paper cites.

Bulk Photovoltaic Effect in a Ferroelectric Crystal: A Model Calculation ,

H. Presting and R. Von Baltz, · 1982

Earlier work this paper cites.

Atomic arrangement and electronic structure of BC 2 {\mathrm{BC}}_{2} N ,

A. Y. Liu, R. M. Wentzcovitch and M. L. Cohen, · 1989

Earlier work this paper cites.

The photovoltaic and photorefractive effects in noncentrosymmetric materials ,

B. I. Sturman and V. M. Fridkin, · 1992

Earlier work this paper cites.

Theory of polarization of crystalline solids ,

R. D. King-Smith and D. Vanderbilt, · 1993

Earlier work this paper cites.

Electromagnetic fields and dielectric response in empirical tight-binding theory ,

M. Graf and P. Vogl, · 1995

Earlier work this paper cites.

Electrical properties of BC 2 N thin films prepared by chemical vapor deposition ,

M. Watanabe, S. Itoh, K. Mizushima and T. Sasaki, · 1995

Earlier work this paper cites.

Semiconductor effective charges from tight-binding theory ,

J. Bennetto and D. Vanderbilt, · 1996

Earlier work this paper cites.

Generalized Gradient Approximation Made Simple ,

J. P. Perdew, K. Burke and M. Ernzerhof, · 1996

Earlier work this paper cites.

Superlattices and Other Heterostructures ,

E. L. Ivchenko and G. E. Pikus, · 1997

Earlier work this paper cites.

Maximally localized generalized Wannier functions for composite energy bands ,

N. Marzari and D. Vanderbilt, · 1997

Earlier work this paper cites.

Second-order optical response in semiconductors ,

J. E. Sipe and A. I. Shkrebtii, · 2000

Cited alongside, same era.

Optical matrix elements in tight-binding calculations ,

T. G. Pedersen, K. Pedersen and T. Brun Kriestensen, · 2001

Cited alongside, same era.

Maximally localized Wannier functions for entangled energy bands ,

I. Souza, N. Marzari and D. Vanderbilt, · 2001

Cited alongside, same era.

Consequences of local gauge symmetry in empirical tight-binding theory ,

B. A. Foreman, · 2002

Cited alongside, same era.

Spin-orbit Coupling Effects in Two-Dimensional Electron and Hole Systems ,

R. Winkler, · 2003

Cited alongside, same era.

Optical matrix elements in tight-binding models with overlap ,

T. Sandu, · 2005

Cited alongside, same era.

First-principles calculation of nonlinear optical responses by Wannier interpolation ,

C. Wang, X. Liu, L. Kang, B.-L. Gu, Y. Xu and W. Duan, · 2017

Later among the works it cites.

Tight-binding calculations of optical matrix elements for conductivity using nonorthogonal atomic orbitals: Anomalous Hall conductivity in bcc Fe ,

C.-C. Lee, Y.-T. Lee, M. Fukuda and T. Ozaki, · 2018

Later among the works it cites.

Ab initio calculation of the shift photocurrent by Wannier interpolation ,

J. Ibañez-Azpiroz, S. S. Tsirkin and I. Souza, · 2018

Later among the works it cites.

Berry Phases in Electronic Structure Theory: Electric Polarization, Orbital Magnetization and Topological Insulators ,

D. Vanderbilt, · 2018

Later among the works it cites.

Precise determination of critical points of topological phase transitions via shift current in two-dimensional inversion asymmetric insulators ,

Original

Z. Yan, · 2018