Screening from <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>e</mml:mi><mml:mi>g</mml:mi></mml:msub></mml:math> states and antiferromagnetic correlations in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msup><mml:mi>d</mml:mi><mml:mrow><mml:mo>(</mml:mo><mml:mn>1</mml:mn><mml:mo>,</mml:mo><mml:mn>2</mml:mn><mml:mo>,</mml:mo><mml:mn>3</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:msup></mml:math> perovskites: A <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow><mml:mo>+</mml:mo><mml:mtext>EDMFT</mml:mtext></mml:math> investigation
Francesco Petocchi, Fredrik Nilsson, Ferdi Aryasetiawan, Philipp Werner
Abstract
The authors perform a systematic ab-initio study of the electronic structure of Sr(V,Mo,Mn)O3 perovskites, using the parameter-free GW+EDMFT method. The paper self-consistently calculates effective interaction parameters, taking into account screening effects due to nonlocal charge fluctuations and its results indicate that, in certain cases, high energy structures in the local spectral function should be interpreted as plasmonic excitations rather than Hubbard bands
Topics & Concepts
AntiferromagnetismCondensed matter physicsPhysicsCharge (physics)Hubbard modelElectronic structurePlasmonFunction (biology)Energy (signal processing)Statistical physicsSpectral functionStrongly correlated materialSpectrum (functional analysis)Wave functionSpin (aerodynamics)FerromagnetismQuantum mechanicsMaterials scienceRandom phase approximationMagnetic and transport properties of perovskites and related materialsMultiferroics and related materialsHeusler alloys: electronic and magnetic properties