
pmid: 9945204
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 the region ag5.90 a.u., with a discontinuous low-spin to high-spin transition occurring somewhere in the double-moment region 5.90lal6.025 a.u. For fcc Mn, the moment is found to be zero in the range 6.50lal\ensuremath{\sim}7.275 a.u. and large in the region ag\ensuremath{\sim}7.275 a.u., with a discontinuous zero-moment to high-moment transition occurring near a=7.275 a.u. Information obtained from magnetic susceptibility calculations is used to predict the magnetic order of the ground state in some of the lattice-constant ranges considered. The susceptibility calculations indicate that bcc Mn has a ferromagnetic ground state in the range 5.2lal5.4 a.u. and that fcc Mn has an antiferromagnetic ground state in the region ag6.8 a.u.
| selected citations These citations are derived from selected sources. This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | 70 | |
| popularity This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network. | Average | |
| influence This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically). | Top 10% | |
| impulse This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network. | Top 10% |
