491 citations
- Oak Ridge National LaboratoryUS6 papers
- Aarhus UniversityDK5 papers
- Diamond Light SourceGB4 papers
- Rutherford Appleton LaboratoryGB4 papers
- University of NottinghamGB4 papers
- Centre National de la Recherche ScientifiqueFR3 papers
- University of LiverpoolGB3 papers
- Cockcroft InstituteGB2 papers
- Durham UniversityGB2 papers
- European Synchrotron Radiation FacilityFR2 papers
- Imperial College LondonGB2 papers
- Lawrence Berkeley National LaboratoryUS2 papers
4 papers · 2 filters
Electronic structure of normal and inverse spinel ferrites from first principles
Z. Szotek, W. M. Temmerman, D. Koedderitzsch +3
We apply the self-interaction corrected local spin density %(SIC-LSD) approximation to study the electronic structure and magnetic properties of the spinel ferrites MnFeO$_{4…
Valency Configuration of Transition Metal Impurities in ZnO
L. Petit, T. C. Schulthess, A. Svane +3
We use the self-interaction corrected local spin-density approximation to investigate the ground state valency configuration of transition metal (TM = Mn, Co) impurities in n- and…
Magnetic order and valency at LaSrMnO/SrTiO interfaces
H. Zenia, G. A. Gehring, W. M. Temmerman
We report on first principles calculations of the electronic structure of LaSrMnO/SrTiO junction with two possible types of interface terminations. We f…
Electronic structure of rare-earth impurities in GaAs and GaN
A. Svane, N. E. Christensen, L. Petit +2
The electronic structures of substitutional rare-earth (RE) impurities in GaAs and cubic GaN are calculated. The total energy is evaluated with the self-interaction corrected local…