Journal ArticleDOI
Coexistence of Local and Band Characters in the Absorption Spectra of Solids I. Formulation
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In this article, the problem of coexistence of the local and band aspects in the fundamental absorption spectra (or the impurity-induced infrared absorption of lattice vibrations) is formulated with the use of the Green's function method.Abstract:
The problem of coexistence of the local and band aspects in the fundamental absorption spectra (or the impurity-induced infrared absorption of lattice vibrations) is formulated with the use of the Green's function method. By a suitable decomposition of the hamiltonian of the electron-hole relative motion (or the dynamical matrix for the lattice vibrations), one can derive a line shape expression in which coexist the both aspects, namely, the metastable excitons (or the quasi-local modes) on the one hand and the Van Hove singularities on the other hand. Their interference results in the antiresonance of the quasi-local states and the metamorphism of Van Hove singularities.read more
Citations
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Book ChapterDOI
Statistical Exchange-Correlation in the Self-Consistent Field
John C. Slater,John C. Slater +1 more
TL;DR: The main point of the method of Gaspar, Kohn, and Sham is that they derived the approximate exchange correction from an approximate Hamiltonian for the system by varying the spin-orbitals to minimize the average value of this Hamiltonians for the ground state as discussed by the authors.
Journal ArticleDOI
Electronic impurity levels in semiconductors
TL;DR: The theory of the electronic states of crystals containing point defects in small concentration is reviewed and its application to the case of semiconductors is discussed in this paper, making use of the effective mass approximation and taking into account interband mixing and central cell corrections.
Journal ArticleDOI
Optical properties of pseudobinary GeTe, Ge 2 Sb 2 Te 5 , GeSb 2 Te 4 , GeSb 4 Te 7 , and Sb 2 Te 3 from ellipsometry and density functional theory
Jun Woo Park,Seung Hwan Eom,Hosun Lee,Juarez L. F. Da Silva,Youn-Seon Kang,Tae-Yon Lee,Yoon Ho Khang +6 more
TL;DR: In this article, the optical properties and the band structures of pseudobinary compounds were studied experimentally and theoretically by using spectroscopic ellipsometry and density functional calculations, and the experimental critical-point energies of the compounds, especially GeTe, match well to those of theoretical calculation.
Journal ArticleDOI
Antiresonance in the Optical Spectra of Transition-Metal Ions in Crystals
TL;DR: In this paper, the spectral line shapes can be fitted well by the four-parameter theory of Fano, which was developed to account for the interference of a sharp intra-atomic transition with an overlapping ionizing continuum.
References
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Journal ArticleDOI
Effects of Configuration Interaction on Intensities and Phase Shifts
TL;DR: In this paper, a theoretical analysis of the shape of the 2s2p^{1}P resonance of He observed in the inelastic scattering of electrons is presented. But the analysis is restricted to the case of one discrete level with two or more continua and of a set of discrete levels with one continuum.
Journal ArticleDOI
Intensity of Optical Absorption by Excitons
TL;DR: In this paper, the intensity of optical absorption close to the edge in semiconductors is examined using band theory together with the effective-mass approximation for the excitons, and the experimental results on O and Ge are in good qualitative agreement with direct forbidden and indirect transitions, respectively.
Journal ArticleDOI
Ultraviolet Absorption of Alkali Halides
Journal ArticleDOI
Infrared Lattice Absorption in Ionic and Homopolar Crystals
Melvin Lax,Elias Burstein +1 more
TL;DR: In this article, a qualitative understanding of the contribution of the second-order electric moment to infrared absorption is obtained with the help of a one-dimensional calculation, which is judged to be intrinsic and to be reasonably explained by a second order electric moment arising from charge deformation.
Journal ArticleDOI
Electronic Spectra of Crystalline Germanium and Silicon
TL;DR: In this article, a detailed calculation of the energy bands of germanium and silicon has been performed by use of the pseudopotential method, and the first three potential coefficients have been determined empirically, and all higher ones set equal to zero.