25 citations · 37 across the 3 of their papers we have counts for
7 papers
Lightshow: a Python package for generating computational x-ray absorption spectroscopy input files
Matthew R. Carbone, Fanchen Meng, Christian Vorwerk +7
First-principles computational spectroscopy is a critical tool for interpreting experiment, performing structure refinement, and developing new physical understanding. Systematical…
Site-Specific Structure at Multiple Length Scales in Kagome Quantum Spin Liquid Candidates
Rebecca W. Smaha, Idris Boukahil, Charles J. Titus +11
Realizing a quantum spin liquid (QSL) ground state in a real material is a leading issue in condensed matter physics research. In this pursuit, it is crucial to fully characterize…
Coulombically-stabilized oxygen hole polarons enable fully reversible oxygen redox
Iwnetim I. Abate, C. Das Pemmaraju, Se Young Kim +10
Stabilizing high-valent redox couples and exotic electronic states necessitate an understanding of the stabilization mechanism. In oxides, whether they are being considered for ene…
Faster Exact Exchange in Periodic Systems using Single-precision Arithmetic
John Vinson
Density-functional theory simplifies many-electron calculations by approximating the exchange and correlation interactions with a one-electron operator that is a functional of the…
Speciation of FeS and FeS by means of X-ray Emission Spectroscopy using a compact full-cylinder von Hamos spectrometer
Malte Wansleben, John Vinson, André Wählisch +4
We present Fe K X-ray emission (XES) and Fe K X-ray absorption spectra (XAS) of Iron(II)sulfide (FeS) and Iron(II)disulfide (FeS). While XES and XAS offer different discrimi…
Resonant X-ray Emission and Valence-band Lifetime Broadening in LiNO
John Vinson, Terrence Jach, Matthias Müller +2
X-ray absorption and resonant inelastic x-ray scattering measurements are carried out on lithium nitrate LiNO. The orbitals around the nitrogen atoms exhibit a large lifeti…