2004/08/31 by Yujun Zhao, Yu-Jun Zhao, Zhao, Yu-Jun +2
Engineering · Materials Science · Physics and Astronomy · #Copper Interconnects and Reliability #Electronic Packaging and Soldering Technologies #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci
paper · pdf · doi:10.48550/arxiv.cond-mat/0408707
5 pages, 1 figures
arxiv created 2004/08/31 · openalex publication_date 2004/08/31 · arxiv updated 2009/12/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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(as) in \em epitaxial total-energies. This reveals that even if Δ\rm bulk is small, still for MnAs, CrSb, CrAs, CrTe, Δ\rm epi(as) > 0 for all substrate lattice constant as, so the zincblende phase is not stabilized. For CrS we find Δ\rm epi(as) <0, but the system is antiferromagnetic, thus not half-metallic. Finally, zincblende CrSe is predicted to be epitaxially stable for as > 6.2 Å and half-metallic.