"US - Spojen\u00E9 st\u00E1ty americk\u00E9" . "8"^^ . "Theory of orbital moment collapse under pressure in FeI 2 ."@en . "Z(AV0Z1010914)" . "RIV/68378271:_____/03:02030288" . . "In the present work we apply LDA and LDA+U approaches to calculate the electronic structure and to investigate the Fe on-site quantities. We propose that the vanishing of the orbital moment is connected to the change of orbital order as reflected in the symmetry of the occupied minority-spin orbital. We fined good agreement between the calculated and measured hyperfine fields and quadrupolar shifts, and make predictions which can serve to validate the proposed mechanism of orbital moment collaps experimentally."@en . . "Kune\u0161, Jan" . "0"^^ . "Pickett, W. E." . "0"^^ . . . "1"^^ . . . "[C540A51865C5]" . "630846" . . . "electronic structure; magnetism; ab initio calculation"@en . . . "5"^^ . . "Physical Review. B" . . . "0163-1829" . "11" . . "Kasinathan, D." . "Theory of orbital moment collapse under pressure in FeI 2 ." . "68" . "Theory of orbital moment collapse under pressure in FeI 2 ." . . "115101;1 - 115101-8" . "Rosner, H." . "In the present work we apply LDA and LDA+U approaches to calculate the electronic structure and to investigate the Fe on-site quantities. We propose that the vanishing of the orbital moment is connected to the change of orbital order as reflected in the symmetry of the occupied minority-spin orbital. We fined good agreement between the calculated and measured hyperfine fields and quadrupolar shifts, and make predictions which can serve to validate the proposed mechanism of orbital moment collaps experimentally." . "Theory of orbital moment collapse under pressure in FeI 2 ."@en . "Rodriguez, C. O." . "RIV/68378271:_____/03:02030288!RIV/2004/AV0/A02004/N" .