71 citations · 136 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2008★ 17 cited
Experimental magnetic form factors in Co3V2O8: A combined study of ab initio calculations, magnetic Compton scattering and polarized neutron diffraction
N. Qureshi, M. Zbiri, J. Rodríguez-Carvajal +13
We present a combination of ab initio calculations, magnetic Compton scattering and polarized neutron experiments, which elucidate the density distribution of unpaired electrons in…
cond-mat.supr-con2008★ 71 cited
Ab initio lattice dynamics simulations and inelastic neutron scattering spectra for studying phonons in BaFe2As2: Effect of structural phase transition, structural relaxation and magnetic ordering
M. Zbiri, H. Schober, M. R. Johnson +5
We have performed extensive ab initio calculations to investigate phonon dynamics and their possible role in superconductivity in BaFe2As2 and related systems. The calculations are…
cond-mat.mtrl-sci2008★ 48 cited
Tetrahedra system Cudaca: high-temperature manifold of molecular configurations governing low-temperature properties
O. Zaharko, J. Mesot, L. A. Salguero +9
The Cudaca system composed of isolated Cu2+ S=1/2 tetrahedra with antiferromagnetic exchange should exhibit properties of a frustrated quantum spin system. ab initio density functi…