Adiabatic corrections for velocity-gauge simulations of electron dynamics in periodic potentials

DOI10.1016/J.CPC.2017.04.010MaRDI QIDQ1738899zbMATH OpenOpenAlexWikidataFDO

Authors V. S. Yakovlev, Michael S. Wismer

Publication date 23 April 2019

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/1702.07410

zbMATH Keywords

electron dynamics in solidspolarization responsequantum mechanicalstrong laser fieldsvelocity gauge

Mathematics Subject Classification ID

Electromagnetic effects in solid mechanics (74F15) Waves and radiation in optics and electromagnetic theory (78A40)

Abstract: We show how to significantly reduce the number of energy bands required to model the interaction of light with crystalline solids in the velocity gauge. We achieve this by deriving analytical corrections to the electric current density. These corrections depend only on band energies, the matrix elements of the momentum operator, and the macroscopic vector potential. Thus, the corrections can be evaluated independently from modeling the interaction with light. In addition to improving the convergence of velocity-gauge calculations, our analytical approach overcomes the long-standing problem of divergences in expressions for linear and nonlinear susceptibilities.

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Cites work

• Motion of Electrons and Holes in Perturbed Periodic Fields

Cited in

(1)

• Motion of Electrons in Adiabatically Perturbed Periodic Structures

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