79 citations · 183 across the 9 of their papers we have counts for
9 papers
Ab initio study of the influence of nanoscale doping inhomogeneities in the phase separated state of LaCaMnO
A. Piñeiro, V. Pardo, D. Baldomir +4
The chemical influence in the phase separation phenomenon that occurs in perovskite manganites is discussed by means of ab initio calculations. Supercells have been used to simulat…
Density functional study of the magnetic properties of clusters: Discrepancy between theory and experiment
Jorge Botana, Manuel Pereiro, Daniel Baldomir +1
We have performed collinear and non collinear calculations on neutral Bi4Mn, and collinear ones on ionized Bi4Mn with charges +1 and -1 to find out why theoretical calculations wil…
Origin of the anomalous Slater-Pauling curve in cobalt-manganese alloy clusters
M. Pereiro, D. Baldomir, J. E. Arias
Surprising enhancement of the magnetic moments recently observed in dilute Co-Mn alloy clusters is explained using ab initio electronic structure calculations. The calculated magne…
Study of the pressure effects in TiOCl by ab initio calculations
A. Piñeiro, V. Pardo, D. Baldomir +4
Electronic structure calculations on the low dimensional spin-1/2 compound TiOCl were performed at several pressures in the orthorhombic phase, finding that the structure is quasi-…
Pressure-induced metal-insulator transition in MgV_2O_4
D. Baldomir, V. Pardo, S. Blanco-Canosa +4
On the basis of experimental thermoelectric power results and ab initio calculations, we propose that a metal-insulator transition takes place at high pressure (approximately 6 GPa…
Calculations of giant magnetoresistance in Fe/Cr trilayers using layer potentials determined from {\it ab-initio} methods
M. Pereiro, D. Baldomir, S. V. Man'kovsky +4
The ab initio full-potential linearized augmented plane-wave method explicitly designed for the slab geometry was employed to elucidate the physical origin of the layer potentials…