78 citations · 214 across the 7 of their papers we have counts for
7 papers
The DFT+ method for electron correlation effects at transition metal surfaces
Andrea Droghetti, Miloš M. Radonjić, Anita Halder +2
We present a computational approach for electronically correlated metallic surfaces and interfaces, which combines Density Functional and Dynamical Mean Field Theory using a multi-…
Magnetic Compton profiles of disordered FeNi and ordered FeNi alloys
D. Benea, J. Minár, H. Ebert +1
We study the magnetic Compton profile (MCP) of the disordered FeNi and of the ordered FeNi alloys and discuss the interplay between structural disorder and electron…
Electronic structure and magnetic properties of metallocene multiple-decker sandwich nanowires
C. Morari, H. Allmaier, F. Beiuşeanu +2
We present a study of the electronic and magnetic properties of the multiple-decker sandwich nanowires () composed of cyclopentadienyl (CP) rings and 3d transition metal atom…
Half-metallicity in NiMnSb: a Variational Cluster Approach with ab-initio parameters
H. Allmaier, L. Chioncel, E. Arrigoni +2
Electron correlation effects in the half-metallic ferromagnet NiMnSb are investigated within a combined density functional and many-body approach. Starting from a realistic multi-o…
Titanium Nitride - a correlated metal at the threshold of a Mott transition
H. Allmaier, L. Chioncel, E. Arrigoni
We investigate electron correlation effects in stoichiometric Titanium Nitride (TiN) using a combination of electronic structure and many-body calculations. In a first step, the Nt…
Majority-spin non-quasiparticle states in half-metallic ferrimagnet MnVAl
L. Chioncel, E. Arrigoni, M. I. Katsnelson +1
The density of non-quasiparticle states in the ferrimagnetic full-Heuslers MnVAl alloy is calculated from first principles upon appropriate inclusion of correlations. In contra…