Modeling and simulations of interface properties with first-principles electronic structure computations

DOI10.1002/MMA.2855zbMath1341.82098OpenAlexW2142995865MaRDI QIDQ2795223

Wenhua Xue, Sanwu Wang, Christine A. Rittenhouse, Yingdi Liu, Xin Liu, Darwin Shields, Hongli Dang, Michael R. Halfmoon

Publication date: 18 March 2016

Published in: Mathematical Methods in the Applied Sciences (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1002/mma.2855

zbMATH Keywords

density functional theoryelectronic structureinterface modelingsilicon carbidesilicon dioxidefirst-principles quantum-mechanical calculationshigh-temperature/high-power microelectronicswide gap semiconductors

Mathematics Subject Classification ID

Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Statistical mechanics of semiconductors (82D37) Many-body theory; quantum Hall effect (81V70) Statistical mechanics of solids (82D20)

Cites Work

• Forces in Molecules

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