Metal-insulator transitions

M Imada, A Fujimori, Y Tokura - Reviews of modern physics, 1998 - APS
Metal-insulator transitions are accompanied by huge resistivity changes, even over tens of
orders of magnitude, and are widely observed in condensed-matter systems. This article …

Vanadium oxide surface studies

S Surnev, MG Ramsey, FP Netzer - Progress in surface science, 2003 - Elsevier
The vanadium oxides can exist in a range of single and mixed valencies with a large variety
of structures. The large diversity of physical and chemical properties that they can thus …

[图书][B] Core level spectroscopy of solids

F De Groot, A Kotani - 2008 - taylorfrancis.com
Core level spectroscopy has become a powerful tool in the study of electronic states in
solids. From fundamental aspects to the most recent developments, Core Level …

In situ XPS analysis of various iron oxide films grown by -assisted molecular-beam epitaxy

T Fujii, FMF De Groot, GA Sawatzky, FC Voogt… - Physical review B, 1999 - APS
We report on a systematic analysis of x-ray photoelectron spectroscopy (XPS) core-and
valence-level spectra of clean and well-characterized iron oxide films, ie, α− Fe 2 O 3, γ− Fe …

First-principles calculation of the structure and magnetic phases of hematite

G Rollmann, A Rohrbach, P Entel, J Hafner - Physical Review B, 2004 - APS
Rhombohedral α− Fe 2 O 3 has been studied by using density-functional theory (DFT) and
the generalized gradient approximation (GGA). For the chosen supercell all possible …

Ab initio study of the (0001) surfaces of hematite and chromia: Influence of strong electronic correlations

A Rohrbach, J Hafner, G Kresse - Physical Review B—Condensed Matter and …, 2004 - APS
We present a detailed ab initio investigation of the stability, the structural, electronic, and
magnetic properties of the (0001) surfaces of hematite (Fe 2 O 3) and chromia or eskolaite …

2p x-ray absorption spectroscopy of 3d transition metal systems

FMF de Groot, H Elnaggar, F Frati, R Wang… - Journal of Electron …, 2021 - Elsevier
This review provides an overview of the different methods and computer codes that are used
to interpret 2p x-ray absorption spectra of 3d transition metal ions. We first introduce the …

Recent theoretical progress in the development of photoanode materials for solar water splitting photoelectrochemical cells

MD Bhatt, JS Lee - Journal of Materials Chemistry A, 2015 - pubs.rsc.org
The search for earth-abundant materials that can be used in solar water splitting cells
remains an important goal for affordable and environmentally friendly methods for energy …

Electronic structure of 3d-transition-metal oxides: on-site Coulomb repulsion versus covalency

R Zimmermann, P Steiner, R Claessen… - Journal of Physics …, 1999 - iopscience.iop.org
We have performed photoemission and inverse photoemission experiments on a series of
3d-transition-metal oxides with formal ionic configuration from to. The photoemission core …

Spin and orbital occupation and phase transitions in

JH Park, LH Tjeng, A Tanaka, JW Allen, CT Chen… - Physical Review B, 2000 - APS
Polarization dependent x-ray-absorption measurements were performed on pure and Cr-
doped V 2 O 3 single crystals in the antiferromagnetic insulating, paramagnetic insulating …