Zobrazeno 1 - 10
of 13
pro vyhledávání: '"E. Brener"'
Publikováno v:
International Journal of Quantum Chemistry. 18:645-649
Self-consistent electron energy bands for paramagnetic chromium have been projected into the two-dimensional Brillouin zone to investigate the possibility of localized states on the (001) surface. Several gaps occur, including some at the bulk Fermi
Publikováno v:
Modem Techniques in Computational Chemistry: MOTECC-91 ISBN: 9789072199102
Modern Techniques in Computational Chemistry: MOTECC™-90 ISBN: 9789401074957
Modern Techniques in Computational Chemistry: MOTECC™-90
Modern Techniques in Computational Chemistry: MOTECC™-90 ISBN: 9789401074957
Modern Techniques in Computational Chemistry: MOTECC™-90
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8dbf64d9175f14d972a53fb460c8c5de
https://doi.org/10.1007/978-94-011-3032-5_18
https://doi.org/10.1007/978-94-011-3032-5_18
Publikováno v:
Physical review. B, Condensed matter. 42(12)
Utilisation de la combinaison lineaire des orbitales gaussiennes. Etude de la structure de bande, des densites d'etats, de la surface de Fermi, des profiles de Compton, et de la conductivite optique. Comparaisons entre l'experience et les calculs
Publikováno v:
Physical Review B. 29:6932-6939
Autor:
Dimitrios A. Papaconstantopoulos, J. L. Fry, Joseph Callaway, G. Fuster, N. E. Brener, Y. Z. Zhao
Publikováno v:
Physical Review B. 38:423-432
Density-functional theory is used to compute the ferromagnetic moment as a function of lattice constant for bcc and fcc Mn. For bcc Mn, a relatively small moment is found in the lattice-constant range 5.20lal6.025 a.u. and a large moment is found in
Publikováno v:
Physical Review B. 38:10454-10462
Local-density, all-electron, self-consistent energy-band calculations are reported for face-centered-cubic rhodium. The Fermi surface is obtained; charge form factors, the Compton profile, and the optical conductivity are determined. Results are comp
Publikováno v:
Physical Review B. 21:384-390
Publikováno v:
Physical Review B. 23:4977-4987
A self-consistent linear-combination-of-Gaussian-orbitals band-structure calculation for paramagnetic chromium employing a local exchange approximation has been performed. The density of states, Fermi surface, and x-ray form factors have been obtaine
Publikováno v:
Journal of Applied Physics. 52:1646-1648
Historically the nesting vector obtained from a paramagnetic Fermi surface or from the maximum of the paramagnetic susceptibility, χ(q), has been used to determine the wave vector of the spin density in antiferromagnetic chromium and various transit
Publikováno v:
Journal of Applied Physics. 64:5601-5603
Local spin‐density theory and the linear combination of Gaussian orbitals method are employed to compute the band structure and ferromagnetic moment of nonequilibrium phases of several transition metals. The calculations are used to investigate pos