309 citations · 1.9k across the 31 of their papers we have counts for
31 papers
Experimental and theoretical study of the correlated compound YbCdSn: Evidence for large magnetoresistance and mass enhancement
Antu Laha, P. Rambabu, V. Kanchana +3
The unusual features of topological semimetals arise from its nontrivial band structure. The impact of strong electron correlations on the topological states remains largely unexpl…
Complex magnetism of lanthanide intermetallics unravelled
L. Petit, D. Paudyal, Y. Mudryk +6
We explain a profound complexity of magnetic interactions of some technologically relevant gadolinium intermetallics using an ab-initio electronic structure theory which includes d…
Room temperature p-induced surface ferromagnetism
Guntram Fischer, Nadiezhda Sanchez, Waheed A. Adeagbo +6
We prove a spontaneous magnetization of the oxygen-terminated ZnO (0001) surface by utilizing a multi-code, SIESTA and KKR, first-principles approach, involving both LSDA+U and sel…
Electronic structure and ionicity of actinide oxides from first principles calculations
L. Petit, A. Svane, Z. Szotek +2
The ground state electronic structures of the actinide oxides AO, A2O3 and AO2 (A=U, Np, Pu, Am, Cm, Bk, Cf) are determined from first-principles calculations, using the self-inter…
Exchange coupling in transition metal monoxides: Electronic structure calculations
Guntram Fischer, Markus Däne, Arthur Ernst +5
An ab initio study of magnetic exchange interactions in antiferromagnetic and strongly correlated 3d transition metal monoxides is presented. Their electronic structure is calculat…
Groundstate electronic structure of actinide carbides and nitrides
L. Petit, A. Svane, Z. Szotek +2
The self-interaction corrected (SIC) local spin-density approximation (LSD) is used to investigate the groundstate valency configuration of the actinide ions in the actinide mono-c…