Pressure-driven magnetic moment collapse in the ground state of MnO
| dc.creator | Kasinathan, Deepa | |
| dc.creator | Koepernik, K. | |
| dc.creator | Pickett, W. E. | |
| dc.date | 2008-03-20 | |
| dc.date.accessioned | 2026-07-07T09:27:40Z | |
| dc.date.available | 2026-07-07T09:27:40Z | |
| dc.description | The zero temperature Mott transition region in antiferromagnetic, spin S=5/2 MnO is probed using the correlated band theory LSDA+U method. The first transition encountered is an insulator-insulator volume collapse within the rocksalt structure that is characterized by an unexpected Hund's rule violating `spin-flip' moment collapse. This spin-flip to S=1/2 takes fullest advantage of the anisotropy of the Coulomb repulsion, allowing gain in the kinetic energy (which increases with decreasing volume) while retaining a sizable amount of the magnetic exchange energy. While transition pressures vary with the interaction strength, the spin-flip state is robust over a range of interaction strengths and for both B1 and B8 structures. | |
| dc.identifier | https://arxiv.org/abs/0803.3026 | |
| dc.identifier | http://arxiv.org/abs/0803.3026 | |
| dc.identifier | New Journal of Physics 9 (2007) 235 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/157185 | |
| dc.subject | Strongly Correlated Electrons | |
| dc.title | Pressure-driven magnetic moment collapse in the ground state of MnO | |
| dc.type | text |