171 citations · 457 across the 18 of their papers we have counts for
7 papers · 1 filter
Understanding the role of defects in the lattice transport properties of half-Heusler compounds: a machine learning analysis
M. Yazdani-Kachoei, B. Rabihavi, I. E. Brumboiu +2
While the effect of intrinsic defects on the electronic properties of half-Heusler compounds has been extensively discussed in literature, their effect on the lattice vibrations ha…
Magnetism between magnetic adatoms on monolayer NbSe
S. Sarkar, F. Cossu, P. Kumari +4
In this work, we report on an computational study of the electronic and magnetic properties of transition metal adatoms on a monolayer of NbSe. We demonstrate that…
Structural and electronic properties of the random alloy ZnSeS
S. Sarkar, O. Eriksson, D. D. Sarma +1
In this article we employ density functional theory in the generalized gradient approximation to investigate the structural and electronic properties of the solid solution alloy $\…
Unveiling hidden charge density waves in single-layer NbSe by impurities
Fabrizio Cossu, Ali G. Moghaddam, Kyoo Kim +4
We employ {\it{ab-initio}} calculations to investigate the charge density waves in single-layer NbSe, and we explore how they are affected by transition metal atoms. Our calcul…
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…
Combining electronic structure and many-body theory with large data-bases: a method for predicting the nature of 4f states in Ce compounds
Heike. C. Herper, Towfiq. Ahmed, John. M. Wills +5
Here we present the first large scale investigation of electronic properties and correlated magnetism in Ce-based compounds accompanied by a systematic study of the electronic stru…