First-Principles Calculation of the Structure of Mercury
| dc.creator | Mehl, Michael J. | |
| dc.date | 1995-12-19 | |
| dc.date.accessioned | 2026-07-07T09:15:53Z | |
| dc.date.available | 2026-07-07T09:15:53Z | |
| dc.description | Mercury has perhaps the strangest behavior of any of the metals. Although the other metals in column IIB have an $hcp$ ground state, mercury's ground state is the body centered tetragonal $β$Hg phase. The most common phase of mercury is the rhombohedral $α$Hg phase, which is stable from 79K to the melting point and meta-stable below 79K. Another rhombohedral phase, $γ$Hg, is believed to exist at low temperatures. First-principles calculations are used to study the energetics of the various phases of mercury. Even when partial spin-orbit effects are included, the calculations indicate that the hexagonal close packed structure is the ground state. It is suggested that a better treatment of the spin-orbit interaction might alter this result. | |
| dc.description | 7 pages, LaTeX, 5 Figures (requires psfig.tex). To appear in Materials Research Society Symposium Proceedings 408. This version has two extra figures deleted from the soon-to-be published article for space reasons | |
| dc.identifier | https://arxiv.org/abs/mtrl-th/9512003 | |
| dc.identifier | http://arxiv.org/abs/mtrl-th/9512003 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/153170 | |
| dc.subject | Materials Science | |
| dc.title | First-Principles Calculation of the Structure of Mercury | |
| dc.type | text |