Dipole matrix element approach versus Peierls approximation for optical conductivity
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In this article, the authors developed a computational approach for calculating the optical conductivity in the augmented plane wave basis set of Wien2K and apply it for thoroughly comparing the full dipole matrix element calculation and the Peierls approximation.Abstract:
We develop a computational approach for calculating the optical conductivity in the augmented plane wave basis set of Wien2K and apply it for thoroughly comparing the full dipole matrix element calculation and the Peierls approximation. The results for SrVO3 and V2O3 show that the Peierls approximation, which is commonly used in model calculations, works well for optical transitions between the d orbitals. In a typical transition metal oxide, these transitions are solely responsible for the optical conductivity at low frequencies. The Peierls approximation does not work, on the other hand, for optical transitions between p- and d-orbitals which usually became important at frequencies of a few eVsread more
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References
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Multi-orbital Effects in Optical Properties of Vanadium Sesquioxide
Jan M. Tomczak,Silke Biermann +1 more
TL;DR: This work focuses on the optical properties of V(2)O(3) in its paramagnetic phases by employing the recently developed 'generalized Peierls approach', and rationalizes that the experimentally observed temperature dependence stems from the different coherence scales of the charge carriers involved.
Journal ArticleDOI
Calculations of optical properties in strongly correlated materials
V. S. Oudovenko,V. S. Oudovenko,Gunnar K. Pálsson,S. Y. Savrasov,Kristjan Haule,Gabriel Kotliar +5 more
TL;DR: In this paper, a method to calculate optical properties of strongly correlated systems is presented based on dynamical mean field theory and it uses as an input realistic electronic structure obtained by local density-functional calculations.
Journal ArticleDOI
High-Temperature Optical Spectral Weight and Fermi-liquid Renormalization in Bi-Based Cuprate Superconductors
Daniele Nicoletti,Odeta Limaj,Paolo Calvani,G. Rohringer,Alessandro Toschi,Giorgio Sangiovanni,Massimo Capone,Karsten Held,Shimpei Ono,Yoichi Ando,Stefano Lupi +10 more
TL;DR: The optical conductivity σ(ω) and the spectral weight W(T) of two superconducting cuprates at optimum doping, Bi2Sr2-xLaxCuO6 and Bi2 Sr2CaCu2O8, have been first measured up to 500 K.
Journal ArticleDOI
Optical conductivity and x-ray absorption spectra of the Mott-Hubbard compounds R VO 3 ( R = Sr , Ca, La, and Y)
TL;DR: In this paper, a combined description of the core-level and valence-level optical spectra of Mott-Hubbard compounds is presented, showing that correlation effects alone cannot account for the experimental structures, and that crystal-field effects and exchange interactions are necessary to explain the spectra.
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Calculations of Optical Properties in Strongly Correlated Materials
TL;DR: In this paper, a new method to calculate optical properties of strongly correlated systems is proposed based on dynamical mean field theory and it uses as an input realistic electronic structure obtained by local density functional calculations.