116 citations · 1.2k across the 32 of their papers we have counts for
13 papers · 1 filter
Revisiting magnetic exchange interactions in transition metal doped BiSe using DFT+MFT
Sagar Sarkar, Shivalika Sharma, Igor Di Marco
Topological insulators doped with magnetic impurities has become a promising candidate for Quantum Anomalous Hall Effect (QAHE) in the dilute doping limit. The crucial factor in re…
Emergent half-metal with mixed structural order in (111)-oriented (LaMnO)|(SrMnO) superlattices
Fabrizio Cossu, Jùlio Alves Do Nascimento, Stuart A. Cavill +3
Using first-principles techniques, we study the structural, magnetic and electronic properties of (111)-oriented (LaMnO)(SrMnO) superlattices of varying…
Magnetism in AV3Sb5 (A = Cs, Rb, K): Complex Landscape of the Dynamical Magnetic Textures
Debjani Karmakar, Manuel Pereiro, Md. Nur Hasan +10
We have investigated the dynamical magnetic properties of the V-based kagome stibnite compounds by combining the ab-initio calculated magnetic parameters of a spin Hamiltonian like…
Element- and momentum-resolved electronic structure of the dilute magnetic semiconductor manganese doped gallium arsenide
Slavomír Nemšák, Mathias Gehlmann, Cheng-Tai Kuo +10
The dilute magnetic semiconductors have promise in spin-based electronics applications due to their potential for ferromagnetic order at room temperature, and various unique switch…
Electronic structure of (Ga,Mn)As revisited
J. Kanski, L. Ilver, K. Karlsson +4
The detailed nature of electronic states mediating ferromagnetic coupling in dilute magnetic semiconductors, specifically (Ga,Mn)As, has been an issue of long debate. Two confronti…
A new 2D monolayer BiXene, M2C (M=Mo, Tc, Os)
Weiwei Sun, Yunguo Li, Baotian Wang +5
Note this is a rather coarse version of our manuscript since uploading tex files are necessary (we are not willing to upload all tex files). The existence of BiXenes, a new family…
Microscopic origin of Heisenberg and non-Heisenberg exchange interactions in ferromagnetic bcc Fe
Y. O. Kvashnin, R. Cardias, A. Szilva +6
By means of first principles calculations we investigate the nature of exchange coupling in ferromagnetic bcc Fe on a microscopic level. Analyzing the basic electronic structure re…
Electronic topological transition and non-collinear magnetism in compressed hcp Co
Y. O. Kvashnin, W. Sun, I. Di Marco +1
Recent experiments showed that Co undergoes a phase transition from ferromagnetic hcp phase to non-magnetic fcc one around 100 GPa. Since the transition is of first order, a certai…
Correlated electron behavior of metalorganic molecules: insights from density functional theory combined with many-body effects using exact diagonalization
Sumanta Bhandary, Malte Schüler, Patrik Thunström +5
A proper theoretical description of electronic structure of the 3d orbitals in the metal centers of functional metalorganics is a challenging problem. In this letter, we apply dens…
Magnetism and electronic structure calculation of SmN
C. Morari, F. Beiuşeanu, I. Di Marco +4
The results of the electronic structure calculations performed on SmN by using the LDA+U method with and without including the spin-orbit coupling are presented. Within the LDA+U a…
Microscopic electronic configurations after ultrafast magnetization dynamics
I. L. M. Locht, I. Di Marco, S. Garnerone +2
We provide a model for the prediction of the electronic and magnetic configurations of ferromagnetic Fe after an ultrafast decrease or increase of magnetization. The model is based…
Momentum space anisotropy of electronic correlations in Fe and Ni - an analysis of magnetic Compton profiles
L. Chioncel, D. Benea, H. Ebert +2
The total and magnetically resolved Compton profiles are analyzed within the combined density functional and dynamical mean field theory for the transition metal elements Fe and Ni…
Quantitative determination of spin-dependent quasiparticle lifetimes and electronic correlations in hcp cobalt
J. Sanchez-Barriga, J. Minar, J. Braun +13
We report on a quantitative investigation of the spin-dependent quasiparticle lifetimes and electron correlation effects in ferromagnetic hcp Co(0001) by means of spin and angle-re…