79 citations · 183 across the 9 of their papers we have counts for
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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…
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…
Evidence for magnetic clusters in BaCoO
V. Pardo, J. Rivas, D. Baldomir +4
Magnetic properties of the transition metal oxide BaCoO are analyzed on the basis of the experimental and theoretical literature available via ab inito calculations. These can…
Magnetic structure and orbital ordering in BaCoO3 from first-principles calculations
V. Pardo, P. Blaha, M. Iglesias +3
Ab initio calculations using the APW+lo method as implemented in the WIEN2k code have been used to describe the electronic structure of the quasi-one-dimensional system BaCoO3. Bot…