Ab initio calculation of the deformation potential and photoelastic coefficients of silicon with a non-uniform finite-difference solver based on the local density approximation

DOI10.1016/J.CPC.2014.03.016MaRDI QIDQ310099zbMATH OpenOpenAlexFDO

Authors Jeremy Witzens

Publication date 7 September 2016

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

Copyright license Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International

Full work available at URL https://doi.org/10.1016/j.cpc.2014.03.016

zbMATH Keywords

finite-differencescurvilinear coordinate transformsdeformation potentiallocal density approximationnon-uniform meshingphotoelastic tensorpiezo-optical effect

Mathematics Subject Classification ID

Statistical mechanics of semiconductors (82D37)

Recommendations

• The effect of uniaxial stress on band structure and electron mobility of silicon
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Cites work

• A Simplification of the Hartree-Fock Method
• Deformation Potentials in Silicon. I. Uniaxial Strain
• Dielectric Constant with Local Field Effects Included
• Mathematical structure of the temporal gauge in quantum electrodynamics
• Numerical methods for large eigenvalue problems
• Orbital-dependent density functionals: theory and applications
• Quantum Theory of the Dielectric Constant in Real Solids
• Self-consistent finite-difference electronic structure calculations
• Stress effects on the performance of optical waveguides.

Cited in

(8)

• Ab initio calculations of thermal radiative properties: the semiconductor GaAs
• Elastic properties of group IV semiconductors by pseudopotential approach
• First-principles LCPAO approach for insulators under finite electric fields with forces
• The effect of uniaxial stress on band structure and electron mobility of silicon
• Plane-wave implementation of the real-space \(K \cdot p\) formalism and continuum elasticity theory
• Re-examining the electronic structure of germanium: a first-principle study
• Estimation of the deformation-potential constant for \(p\)-type isotropic polycrystalline silicon through the deformation potential of a \(p\)-type silicon single crystal
• Influence of k-point sampling on stability of structures obtained by ab initio MD simulations

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