NDLI: Eigenstate fitting in the k

Content Provider	Springer Nature Link
Author	López, H. Chantis, A. N. Suñé, J. Cartoixá, X.
Copyright Year	2006
Abstract	We present a study of the decomposition of the conduction band (CB) eigenstates in terms of the Brillouin zone center solutions. The methods we use for the decomposition are, ranging from more empirical to more first-principle, a 40-band tight binding model, the empirical pseudopotential method and a quasiparticle self-consistent GW (QPscGW). We observe that on the order of 20 bands are needed to obtain a good description of the CB in the full zone. We extract univocally from those calculations the interband momentum matrix elements, useful for k·p models. Therefore, we can construct Hamiltonians that reproduce the correct components of the CB eigenstates, which is needed for the calculation of optical properties and spin dynamics, to name a few.
Starting Page	195
Ending Page	198
Page Count	4
File Format	PDF
ISSN	15698025
Journal	Journal of Computational Electronics
Volume Number	6
Issue Number	1-3
e-ISSN	15728137
Language	English
Publisher	Kluwer Academic Publishers-Plenum Publishers
Publisher Date	2006-12-09
Publisher Place	New York
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Envelope function Effective mass approximation Band structure Semiconductors Mechanical Engineering ApplicationMathematics/Computational Methods of Engineering Mathematical and Computational Physics Optical and Electronic Materials Electronic and Computer Engineering
Content Type	Text
Resource Type	Article
Subject	Atomic and Molecular Physics, and Optics Electronic, Optical and Magnetic Materials Electrical and Electronic Engineering Modeling and Simulation

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