Defect Formation Energies without the Band-Gap Problem: Combining Density-Functional Theory and theGWApproach for the Silicon Self-Interstitial
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Many-Body Effects in the Excitation Spectrum of a Defect in SiCPoint defects in ZnO: an approach from first principlesEffects of oxygen vacancies on the structural and optical properties of β-Ga2O3.Density functional theory in materials science.Machine learning unifies the modeling of materials and molecules.First principles study of point defects in SnS.Fundamental Resolution of Difficulties in the Theory of Charged Point Defects in Semiconductors.Design of Novel Visible Light Active Photocatalyst Materials: Surface Modified TiO2.Large work function reduction by adsorption of a molecule with a negative electron affinity: pyridine on ZnO(1010).Electronic structure and van der Waals interactions in the stability and mobility of point defects in semiconductors.A Theoretical Simulation of the Radiation Responses of Si, Ge, and Si/Ge Superlattice to Low-Energy Irradiation.First-Principles Optical Spectra forFCenters in MgOAdvances in electronic structure methods for defects and impurities in solidsElectrostatic interactions between charged defects in supercellsLDA + U and hybrid functional calculations for defects in ZnO, SnO2, and TiO2Role of Si and Ge as impurities in ZnOA theoretical study of possible point defects incorporated into α-alumina deposited by chemical vapor depositionCoupling of excitons and defect states in boron-nitride nanostructuresSiO2 in density functional theory and beyondColor centers in NaCl by hybrid functionals
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Defect Formation Energies without the Band-Gap Problem: Combining Density-Functional Theory and theGWApproach for the Silicon Self-Interstitial
description
article publié dans la revue scientifique Physical Review Letters
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im Januar 2009 veröffentlichter wissenschaftlicher Artikel
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scientific article published in Physical Review Letters
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wetenschappelijk artikel
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наукова стаття, опублікована в січні 2009
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name
Defect Formation Energies with ...... the Silicon Self-Interstitial
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Defect Formation Energies with ...... the Silicon Self-Interstitial
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type
label
Defect Formation Energies with ...... the Silicon Self-Interstitial
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Defect Formation Energies with ...... the Silicon Self-Interstitial
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prefLabel
Defect Formation Energies with ...... the Silicon Self-Interstitial
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Defect Formation Energies with ...... the Silicon Self-Interstitial
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P2860
P50
P1476
Defect Formation Energies with ...... the Silicon Self-Interstitial
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P2860
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10.1103/PHYSREVLETT.102.026402
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P577
2009-01-14T00:00:00Z