Can a half-metallic zincblende-type structure be stabilized via epitaxy?
| dc.creator | Zhao, Yu-Jun | |
| dc.creator | Zunger, Alex | |
| dc.date | 2004-08-31 | |
| dc.date.accessioned | 2026-07-07T03:00:09Z | |
| dc.date.available | 2026-07-07T03:00:09Z | |
| dc.description | The need for spin-injectors having the same zincblende-type crystal structure as conventional semiconductor substrates has created significant interests in theoretical predictions of possible metastable ``half-metallic'' zincblende ferromagnets, which are normally more stable in other structure-types, e.g., NiAs. Such predictions were based in the past on differences $Δ_{\rm bulk}$ in the total-energies of the respective {\em bulk} crystal forms (zincblende and NiAs). We show here that the appropriate criterion is comparing difference $Δ_{\rm epi}(a_s)$ in {\em epitaxial} total-energies. This reveals that even if $Δ_{\rm bulk}$ is small, still for MnAs, CrSb, CrAs, CrTe, $Δ_{\rm epi}(a_s) > 0$ for all substrate lattice constant $a_s$, so the zincblende phase is not stabilized. For CrS we find $Δ_{\rm epi}(a_s) <0$, but the system is antiferromagnetic, thus not half-metallic. Finally, zincblende CrSe is predicted to be epitaxially stable for $a_s > 6.2$ Å and half-metallic. | |
| dc.description | 5 pages, 1 figures | |
| dc.identifier | https://arxiv.org/abs/cond-mat/0408707 | |
| dc.identifier | http://arxiv.org/abs/cond-mat/0408707 | |
| dc.identifier.uri | http://salesiana.dossiersoluciones.com/handle/123456789/24756 | |
| dc.subject | Materials Science | |
| dc.title | Can a half-metallic zincblende-type structure be stabilized via epitaxy? | |
| dc.type | text |