32 citations · 118 across the 7 of their papers we have counts for
7 papers
Magnetic 2D electron liquid at the surface of Heusler semiconductors
S. Keshavarz, I. Di Marco, D. Thonig +3
Conducting and magnetic properties of a material often change in some confined geometries. However, a situation where a non-magnetic semiconductor becomes both metallic and magneti…
A systematic study of the local minima in L(S)DA+U
Samara Keshavarz, Patrik Thunström
We have performed a systematic study of the emergence of meta-stable states in density functional theory plus Hubbard U (DFT+U ) simulations of NiO, CoO, FeO. Particular attention…
Electronic structure, magnetism and exchange integrals in transition metal oxides: role of the spin polarization of the functional in DFT+ calculations
Samara Keshavarz, Johan Schött, Andrew J. Millis +1
Density functional theory augmented with Hubbard- corrections (DFT+) is currently one of the widely used methods for first-principles electronic structure modeling of insulat…
Half-metallicity and magnetism in the CoMnAl/CoMnVAl heterostructure
Igor Di Marco, Andreas Held, Samara Keshavarz +2
We present a study of the electronic structure and magnetism of CoMnAl, CoMnVAl and their heterostructure. We employ a combination of density-functional theory and dynamical me…
Exchange interactions of CaMnO3 in the bulk and at the surface
Samara Keshavarz, Yaroslav Kvashnin, Debora Rodrigues +7
In this work, we present electronic and magnetic properties of CaMnO3 (CMO) as obtained from ab initio calculations. We identify the preferable magnetic order by means of density f…
First principles studies of the Gilbert damping and exchange interactions for half-metallic Heuslers alloys
Jonathan Chico, Samara Keshavarz, Yaroslav Kvashnin +6
Heusler alloys have been intensively studied due to the wide variety of properties that they exhibit. One of these properties is of particular interest for technological applicatio…
Layer-resolved magnetic exchange interactions of surfaces of late 3d elements: effects of electronic correlations
S. Keshavarz, Y. O. Kvashnin, I. Di Marco +4
We present the results of an ab initio study of magnetic properties of Fe, Co and Ni surfaces. In particular, we discuss their electronic structure and magnetic exchange interactio…