Electronic structure, magnetism, and disorder in the Heusler compound Co$_2$TiSn

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dc.creatorKandpal, Hem Chandra
dc.creatorKsenofontov, Vadim
dc.creatorBalke, Benjamin
dc.creatorWojcik, Marek
dc.creatorSeshadri, Ram
dc.creatorFelser, Claudia
dc.date2006-09-22
dc.date2006-11-14
dc.date.accessioned2026-07-07T07:49:58Z
dc.date.available2026-07-07T07:49:58Z
dc.descriptionPolycrystalline samples of the half-metallic ferromagnet Heusler compound Co$_2$TiSn have been prepared and studied using bulk techniques (X-ray diffraction and magnetization) as well as local probes ($^{119}$Sn Mössbauer spectroscopy and $^{59}$Co nuclear magnetic resonance spectroscopy) in order to determine how disorder affects half-metallic behavior and also, to establish the joint use of Mössbauer and NMR spectroscopies as a quantitative probe of local ion ordering in these compounds. Additionally, density functional electronic structure calculations on ordered and partially disordered Co$_2$TiSn compounds have been carried out at a number of different levels of theory in order to simultaneously understand how the particular choice of DFT scheme as well as disorder affect the computed magnetization. Our studies suggest that a sample which seems well-ordered by X-ray diffraction and magnetization measurements can possess up to 10% of antisite (Co/Ti) disordering. Computations similarly suggest that even 12.5% antisite Co/Ti disorder does not destroy the half-metallic character of this material. However, the use of an appropriate level of non-local DFT is crucial.
dc.description11 pages and 5 figures
dc.identifierhttps://arxiv.org/abs/cond-mat/0609578
dc.identifierhttp://arxiv.org/abs/cond-mat/0609578
dc.identifierJ. Phys. D. 40 (2007) 1587-1592
dc.identifierdoi:10.1088/0022-3727/40/6/S13
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/125019
dc.subjectMaterials Science
dc.titleElectronic structure, magnetism, and disorder in the Heusler compound Co$_2$TiSn
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