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19992026
most citedAngular dependence of core hole screening in LiCoO2: A DFT+U calculation of the oxygen and cobalt K-edge x-ray absorption spectra

108 citations · 700 across the 24 of their papers we have counts for

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12 papers · 1 filter

cond-mat.mtrl-sci2026

Oxygen K-edge X-ray Absorption Spectroscopy Database for NMC811 Layered Cathode Materials

Jian He, Bowen Xiu, Feng Ryan Wang +2

X-ray absorption spectroscopy (XAS) probes the local chemical environment of the absorbing atom and is one of the most powerful characterization techniques for battery materials. H…

cond-mat.mtrl-sci2026

Synthesis of epitaxial TaO thin films on AlO by suboxide molecular-beam epitaxy and thermal laser epitaxy

Yorick A. Birkhölzer, Anna S. Park, Noah Schnitzer +28

Tantalum dioxide (TaO2) is a metastable tantalum compound. Here, we report the epitaxial stabilization of TaO2 on Al2O3 (1-102) (r-plane sapphire) substrates using suboxide molecul…

cond-mat.mtrl-sci2024★ 8 cited

Atomic multiplet and charge-transfer screening effects in 1 and 2 core-level X-ray photoelectron spectra of early 3 transition-metal oxides

Tatsuya Yamaguchi, Keisuke Higashi, Anna Regoutz +5

We present a comparative analysis of 1 and 2 core-level hard X-ray photoelectron spectroscopy (HAXPES) spectra in metallic VO and CrO. Even though the V 1 and 2…

cond-mat.mtrl-sci2023

Modulation-Doping a Correlated Electron Insulator

Debasish Mondal, Smruti Rekha Mahapatra, Abigail M Derrico +11

Correlated electron materials (CEMs) host a rich variety of condensed matter phases. Vanadium dioxide (VO2) is a prototypical CEM with a temperature-dependent metal-to-insulator (M…

cond-mat.mtrl-sci2022★ 7 cited

A Rate Model of Electron Populations for Non-linear High-Fluence X-ray Absorption Near-Edge Spectra

Robin Y. Engel, Markus Scholz, Jan O. Schunck +1

Absorbing a focused, femtosecond X-ray pulse from a Free-Electron Laser (FEL) can lead to extreme electronic excitations in solids. This excitation drives changes of the electronic…

cond-mat.mtrl-sci2022★ 7 cited

Electron Dynamics at High-Energy Densities in Nickel from Non-linear Resonant X-ray Absorption Spectra

Robin Y. Engel, Oliver Alexander, Kaan Atak +40

The pulse intensity from X-ray free-electron lasers (FELs) can create extreme excitation densities in solids, entering the regime of non-linear X-ray-matter interactions. We show L…

cond-mat.mtrl-sci2022★ 24 cited

The interplay of local electron correlations and ultrafast spin dynamics in fcc Ni

Tobias Lojewski, Mohamed F. Elhanoty, Loïc Le Guyader +48

The complex electronic structure of metallic ferromagnets is determined by a balance between exchange interaction, electron hopping leading to band formation, and local Coulomb rep…

cond-mat.mtrl-sci2022★ 9 cited

Satellites in the Ti~1 core level spectra of SrTiO and TiO

Atsushi Hariki, Keisuke Higashi, Tatsuya Yamaguchi +7

Satellites in core level spectra of photoelectron spectroscopy (PES) can provide crucial information on the electronic structure and chemical bonding in materials, particular in tr…

cond-mat.mtrl-sci2021

Complete crystallographic, spin-electronic and magnetic structure of (Co0.2Cr0.2Fe0.2Mn0.2Ni0.2)3O4: Unraveling the suppression of entropy in high entropy oxides

Abhishek Sarkar, Benedikt Eggert, Ralf Witte +12

High entropy oxides (HEOs) are a rapidly emerging class of functional materials consisting of multiple principal cations. The original paradigm of HEOs assumes cationic occupations…

cond-mat.mtrl-sci2015★ 63 cited

Energetic, spatial and momentum character of a buried interface: the two-dimensional electron gas between two metal oxides

S. Nemšák, G. Conti, A. X. Gray +32

The interfaces between two condensed phases often exhibit emergent physical properties that can lead to new physics and novel device applications, and are the subject of intense st…

cond-mat.mtrl-sci2014★ 34 cited

Moment evolution across the ferromagnetic phase transition of giant magnetocaloric (Mn,Fe)2(P,Si,B) compounds

H. Yibole, F. Guillou, L. Caron +6

A strong electronic reconstruction resulting in a quenching of the Fe magnetic moments has recently been predicted to be at the origin of the giant magnetocaloric effect displayed…

cond-mat.mtrl-sci2009★ 108 cited

Angular dependence of core hole screening in LiCoO2: A DFT+U calculation of the oxygen and cobalt K-edge x-ray absorption spectra

Amélie Juhin, Frank De Groot, György Vankó +2

Angular dependent core-hole screening effects have been found in the cobalt K-edge x-ray absorption spectrum of LiCoO2, using high-resolution data and parameter-free GGA+U calculat…