Electronic structure of the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msup><mml:mrow><mml:mi>Fe</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:math> compound <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>FeWO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>: A combined experimental and theoretical x-ray photoelectron spectroscopy study
S. G. Altendorf, D. Takegami, A. Meléndez-Sans, C. F. Chang, Masato Yoshimura, Ku‐Ding Tsuei, A. Tanaka, Marcus Schmidt, L. H. Tjeng
Abstract
The electronic structure of ${\mathrm{FeWO}}_{4}$ is studied by photoelectron spectroscopy at x-ray and hard x-ray photon energies on high-quality single crystals. Photoionization cross-section effects together with full atomic multiplet configuration interaction and band structure calculations allow us to identify the contributions of iron and tungsten to the valence band. The analysis shows that the correlations in ${\mathrm{FeWO}}_{4}$ necessitate theoretical approaches beyond standard band structure models even for the description of the tungsten with a formal $5{d}^{0}$ configuration.
Topics & Concepts
MultipletPhotoionizationValence (chemistry)Electronic structureCrystallographyPhysicsAtomic physicsChemistryCondensed matter physicsIonSpectral lineIonizationQuantum mechanicsLuminescence Properties of Advanced MaterialsTransition Metal Oxide NanomaterialsAdvancements in Battery Materials