Publications (34)
High-pressure structural, elastic and electronic properties of the scintillator host material, KMgF_3
G. Vaitheeswaran, V. Kanchana, R. S. Kumar +5
Ab initio charge, spin and orbital energy scales in LaMnO3
R. Tyer, W. M. Temmerman, Z. Szotek +4
Density functional study of elastic and vibrational properties of the Heusler-type alloys Fe$_2$VAl and Fe$_2$VGa
V. Kanchana, G. Vaitheeswaran, Yanming Ma +3
Hubbard-U Band-Structure Methods
R. C. Albers, N. E. Christensen, A. Svane
GW correlation effects on plutonium quasiparticle energies: changes in crystal-field splitting
A. N. Chantis, R. C. Albers, A. Svane +1
Electronic structure of normal and inverse spinel ferrites from first principles
Z. Szotek, W. M. Temmerman, D. Koedderitzsch +3
The Electronic Structure of Europium Chalcogenides and Pnictides
M. Horne, P. Strange, W. M. Temmerman +3
Structural, Vibrational, Elastic and Topological Properties of PaN Under Pressure
P. Modak, Ashok K. Verma, A. Svane +2
Self-interaction Corrected Calculations of Correlated f-electron Systems
L. Petit, A. Svane, Z. Szotek +1
High pressure structural study of fluoro perovskite CsCdF3 upto 60 GPa: A combined experimental and theoretical study
G. Vaitheeswaran, V. Kanchana, Ravhi. S. Kumar +5
Dynamical mean-field theory of photoemission spectra of actinide compounds
A. Svane
Ab initio study of charge order in Fe3O4
Z. Szotek, W. M. Temmerman, A. Svane +3
Effect of van der Waals interactions on the structural and elastic properties of black phosphorus
S. Appalakondaiah, G. Vaitheeswaran, S. Lebegue +2
Valency Configuration of Transition Metal Impurities in ZnO
L. Petit, T. C. Schulthess, A. Svane +3
Self-interaction Corrected Local Spin Density Theory of 5f Electron Localization in Actindes
A. Svane, L. Petit, Z. Szotek +1
Electronic Structure, Transport and Phonons of SrAg$Ch$F ($Ch$=S, Se, Te): Bulk Superlattice Thermoelectrics
Vijay Kumar Gudelli, V. Kanchana, G. Vaitheeswaran +4
Electronic topological transition in LaSn$_3$ under pressure
Swetarekha Ram, V. Kanchana, G. Vaitheeswaran +3
Ab-initio determination of the localized/delocalized f-manifold in UPd_2Al_3
L. Petit, A. Svane, W. M. Temmerman +2
First principles study of rare-earth oxides
L. Petit, A. Svane, Z. Szotek +1
The Electronic Correlation Strength of Pu
A. Svane, R. C. Albers, N. E. Christensen +3
Electronic structure and ionicity of actinide oxides from first principles calculations
L. Petit, A. Svane, Z. Szotek +2
Electronic structure of rare-earth impurities in GaAs and GaN
A. Svane, N. E. Christensen, L. Petit +2
Pressure Induced Valence Transitions in f-Electron Systems
W. M. Temmerman, A. Svane, L. Petit +3
Self-interaction correction in multiple scattering theory
M. Lüders, A. Ernst, M. Däne +6
First Principles Electronic Structure of Mn doped GaAs, GaP, and GaN semiconductors
T. C. Schulthess, W. M. Temmerman, Z. Szotek +2
Groundstate electronic structure of actinide carbides and nitrides
L. Petit, A. Svane, Z. Szotek +2
Thermoelectric properties of chalcopyrite type CuGaTe$_2$ and chalcostibite CuSbS$_2$
Vijay Kumar Gudelli, V. Kanchana, G. Vaitheeswaran +2
Superconductivity in SnO: a Nonmagnetic Analog to Fe-based Superconductors?
M. K. Forthaus, K. Sengupta, O. Heyer +6
Elastic constants and high-pressure structural transitions in lanthanum monochalcogenides from experiment and theory
G. Vaitheeswaran, V. Kanchana, S. Heathman +5
Rare Earth Monopnictides and Monochalcogenides from First Principles: Towards an Electronic Phase Diagram of Strongly Correlated Materials
L. Petit, R. Tyer, Z. Szotek +2
The Spintronic Properties of Rare Earth Nitrides
C. M. Aerts, P. Strange, M. Horne +3
Electronic structure of half-metallic double perovskites
Z. Szotek, W. M. Temmerman, A. Svane +2
Electronic structure of transition metal impurities in p-type ZnO
L. Petit, T. C. Schulthess, A. Svane +3
Electronic Structure of Samarium Monopnictides and Monochalcogenides
A. Svane, V. Kanchana, G. Vaitheeswaran +5