D. Santos-Carballal

most citedFirst-principles study of the inversion thermodynamics and electronic structure of Fe

M_{2} X_{4}

(thio)spinels (

M =

Cr, Mn, Co, Ni;

X =

O, S)

116 citations · 145 across the 2 of their papers we have counts for

collaborators

2 papers

cond-mat.mtrl-sci2018★ 29 cited

$A b - ini t i o$ investigation of the thermodynamics of cation distribution and the electronic and magnetic structures in the LiMn $_{2}$ O $_{4}$ spinel

David Santos-Carballal, Phuti E. Ngoepe, Nora H. de Leeuw

The spinel-structured lithium manganese oxide (LiMn $_{2}$ O $_{4}$ ) is a material currently used as cathode for secondary lithium-ion batteries, but whose properties are not yet fully un…

cond-mat.mtrl-sci2015★ 116 cited

First-principles study of the inversion thermodynamics and electronic structure of Fe $M_{2} X_{4}$ (thio)spinels ( $M =$ Cr, Mn, Co, Ni; $X =$ O, S)

David Santos-Carballal, Alberto Roldan, Ricardo Grau-Crespo +1

Fe $M_{2} X_{4}$ spinels, where $M$ is a transition metal and $X$ is oxygen or sulfur, are candidate materials for spin filters, one of the key devices in spintronics. We present here a…

Ab−initio investigation of the thermodynamics of cation distribution and the electronic and magnetic structures in the LiMn2​O4​ spinel

First-principles study of the inversion thermodynamics and electronic structure of FeM2​X4​ (thio)spinels (M= Cr, Mn, Co, Ni; X= O, S)

$A b - ini t i o$ investigation of the thermodynamics of cation distribution and the electronic and magnetic structures in the LiMn $_{2}$ O $_{4}$ spinel

First-principles study of the inversion thermodynamics and electronic structure of Fe $M_{2} X_{4}$ (thio)spinels ( $M =$ Cr, Mn, Co, Ni; $X =$ O, S)