Journal ArticleDOI
First-principles study of intervalley mixing: Ultrathin GaAs/GaP superlattices.
R. G. Dandrea,Alex Zunger +1 more
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TLDR
Application des calculs de pseudopotentiel de premiers principes aux proprietes structurales, aux discontinuites de bande et aux etats electroniques (GaP) n (GaAs) n n≤3.Abstract:
Application des calculs de pseudopotentiel de premiers principes aux proprietes structurales, aux discontinuites de bande et aux etats electroniques (GaP) n (GaAs) n n≤3. Developpement d'une theorie systematique reliant les niveaux des superreseaux a ceux de leurs constituants en traitant le superreseau dans l'approximation de cristal virtuel. Description semiquantitative des etats de superreseau resultantsread more
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Journal ArticleDOI
Second-Harmonic Optical Response from First Principles
TL;DR: In this article, a full formalism for the calculation of the second-order optical response for semiconductors and insulators is presented, where the expressions for the optical susceptibilities are derived within perturbation theory.
Journal ArticleDOI
Microscopic theory of nanostructured semiconductor devices: beyond the envelope-function approximation
TL;DR: In this article, the authors report on microscopic theories to describe nanostructured semiconductor devices and compare them with other approaches, showing how these microscopic methods overcome the limitations imposed by the simplified approaches based on envelope function approximations and in the meantime keep the computational cost low.
Journal ArticleDOI
Linear and second-order optical response of III-V monolayer superlattices
TL;DR: In this article, the authors used the full-potential linearized augmented plane-wave method within the generalized gradient approximation to obtain the frequency-dependent dielectric tensor and the second-harmonic-generation susceptibility.
Journal ArticleDOI
Atomistic description of the electronic structure of In x Ga 1 − x As alloys and InAs/GaAs superlattices
TL;DR: In this paper, an empirical pseudopotential approach, fitted to bulk and interfacial reference systems, provides a unified description of the electronic structure of random alloys (bulk and epitaxial), superlattices and related complex systems.
Journal ArticleDOI
Ab Initio calculations of the anisotropic dielectric tensor of GaAs/AlAs superlattices.
Silvana Botti,Silvana Botti,Nathalie Vast,Lucia Reining,Valerio Olevano,Lucio Claudio Andreani +5 more
TL;DR: The static dielectric properties of (001)(GaAs)( p)/(AlAs)(p) superlattices have been calculated as a function of their period p for 1< or = p < or =12, starting from density-functional theory.