Multi-orbital Effects in Optical Properties of Vanadium Sesquioxide
arXiv:0811.1098 · doi:10.1088/0953-8984/21/6/064209
Abstract
Vanadium sesquioxide, V2O3, boasts a rich phase diagram whose description necessitates the accounting for many-body Coulomb correlations. Spectral properties of this compound have been successfully addressed within dynamical mean field theory to an extent that results of recent angle resolved photoemission experiments have been correctly predicted. While photoemission spectroscopy probes the occupied part of the one-particle spectrum, optical experiments measure transitions into empty states and thus provide complementary information. In this work, we focus on the optical properties of V2O3 in its paramagnetic phases by employing our recently developed "generalized Peierls approach". Compared to experiments, we obtain results in overall satisfactory agreement. Further, we rationalize that the experimentally observed temperature dependence stems from the different coherence scales of the involved charge carriers.
9 pages, 4 figures
References in corpus (12)
- Muffin Tin Orbitals of Arbitrary Order
- Full orbital calculation scheme for materials with strongly correlated electrons
- Electrodynamics of the vanadium oxides VO2 and V2O3
- Optical Conductivity in Mott-Hubbard Systems
- Mott-Hubbard Metal-Insulator Transition in Paramagnetic V_2O_3: a LDA+DMFT(QMC) Study
- How chemistry controls electron localization in 3d1 perovskites: A Wannier-function study
- Enhanced Crystal Field Splitting and Orbital Selective Coherence by Strong Correlations in V_2O_3
- Electronic Structure of Paramagnetic V_2O_3: Strongly Correlated Metallic and Mott Insulating Phase
- Effective band-structure in the insulating phase versus strong dynamical correlations in metallic VO2
- Quasiparticle evolution and pseudogap formation in V2O3: An infrared spectroscopy study
- Orbital selective insulator-metal transition in V2O3 under external pressure
- Orbital Switching and the First-Order Insulator-Metal Transition in Paramagnetic V_2O_3
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- Room temperature Mott metal-insulator transition in V2O3 compounds induced via strain-engineering
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- Mott-Kondo Insulator Behavior in the Iron Oxychalcogenides
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