Ab initio lattice dynamics simulations and inelastic neutron scattering spectra for studying phonons in BaFe2 As2: Effect of structural phase transition, structural relaxation, and magnetic ordering

Zbiri, M.Schober, H.Johnson, M. R.Rols, S.Mittal, R.Su, Y.Rotter, M.Johrendt, D.2010-08-182010-08-182009http://hdl.handle.net/123456789/35764898 bytestext/htmlenlattice dynamics simulationsinelastic neutron scattering spectraphononsphase transitionAb initio lattice dynamics simulations and inelastic neutron scattering spectra for studying phonons in BaFe2 As2: Effect of structural phase transition, structural relaxation, and magnetic orderingArticle