6533b7defe1ef96bd12767b1
RESEARCH PRODUCT
Interpretation of the Cu K-edge EXAFS spectra of Cu3N using ab initio molecular dynamics
Matthias KrackAleksandr KalinkoAndris AnspoksAlexei KuzminDmitry BocharovJanis Timoshenkosubject
Materials scienceAbsorption spectroscopychemistry.chemical_elementNitrideCopper nitrideExtended X-ray absorption fine structure (EXAFS)01 natural sciencesMolecular physics030218 nuclear medicine & medical imagingCondensed Matter::Materials Science03 medical and health sciences0302 clinical medicine0103 physical sciencesAtom:NATURAL SCIENCES:Physics [Research Subject Categories]SpectroscopyRadiationQuantitative Biology::Neurons and CognitionExtended X-ray absorption fine structure010308 nuclear & particles physicsAb initio molecular dynamicsCu3NAnharmonicityCopperchemistryK-edgedescription
Financial support provided by ERDF project No. 1.1.1.2/VIAA/l/16/147 (1.1.1.2/16/I/001) under the activity “Post-doctoral research aid” realized at the Institute of Solid State Physics, University of Latvia is greatly acknowledged. This work was supported by a grant from the Swiss National Supercomputing Centre (CSCS) under the project ID s681 .
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2020-10-01 |