<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>LDA</mml:mi><mml:mo>+</mml:mo><mml:mi>DMFT</mml:mi></mml:mrow></mml:math>approach to resonant inelastic x-ray scattering in correlated materials
Atsushi Hariki, Mathias Winder, Takayuki Uozumi, J. Kuneš
Abstract
Motivated by recent improvement of the energy resolution of resonant inelastic $x$-ray scattering (RIXS), the authors develop a theoretical framework based on the local density approximation and dynamical mean-field theory (LDA+DMFT). It provides a computationally feasible material-specific approach to RIXS spectra in a wide range of materials, including strongly correlated ones. A good agreement with recent experimental data for typical transition-metal oxides is obtained. The relationship of RIXS fluorescencelike features and the electronic structure is explained.
Topics & Concepts
PhysicsAb initioScatteringAnderson impurity modelSpectral lineAtomic physicsImpurityCondensed matter physicsQuantum mechanicsAdvanced Condensed Matter PhysicsX-ray Spectroscopy and Fluorescence AnalysisX-ray Diffraction in Crystallography