PMID- 21694116 OWN - NLM STAT- PubMed-not-MEDLINE DCOM- 20121002 LR - 20110622 IS - 0953-8984 (Print) IS - 0953-8984 (Linking) VI - 19 IP - 31 DP - 2007 Aug 8 TI - Calculated magneto-optical Kerr spectra of the half-Heusler compounds AuMnX (X = In, Sn, Sb). PG - 315216 LID - 10.1088/0953-8984/19/31/315216 [doi] AB - The ferromagnetic ground states of the half-Heusler compounds AuMnX (X = In, Sn, Sb) have been calculated in the framework of the local spin-density approximation (LSDA) to density functional theory (DFT). AuMnSn is computed to be a half-metallic ferromagnet, whereas AuMnIn and AuMnSb are not half-metallic, due to their different band filling. The computed relativistic electronic structures served as inputs to calculate the magneto-optical Kerr rotations and ellipticities for all three materials. In the case of AuMnSn the largest, zero-temperature, polar Kerr rotation has been found to be -0.45 degrees at about 1 eV photon energy. The computed MOKE spectra of AuMnSn are in qualitative agreement with recent experiments. The largest Kerr rotations of AuMnIn and AuMnSb have been calculated to be +0.64 degrees at 4.3 eV and -0.85 degrees at 0.9 eV, respectively. FAU - Amft, M AU - Amft M FAU - Oppeneer, P M AU - Oppeneer PM LA - eng PT - Journal Article DEP - 20070704 PL - England TA - J Phys Condens Matter JT - Journal of physics. Condensed matter : an Institute of Physics journal JID - 101165248 EDAT- 2007/08/08 00:00 MHDA- 2007/08/08 00:01 CRDT- 2011/06/23 06:00 PHST- 2011/06/23 06:00 [entrez] PHST- 2007/08/08 00:00 [pubmed] PHST- 2007/08/08 00:01 [medline] AID - S0953-8984(07)38995-9 [pii] AID - 10.1088/0953-8984/19/31/315216 [doi] PST - ppublish SO - J Phys Condens Matter. 2007 Aug 8;19(31):315216. doi: 10.1088/0953-8984/19/31/315216. Epub 2007 Jul 4.