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

Hem Chandra Kandpal; Vadim Ksenofontov; Benjamin Balke; Marek Wojcik; Ram Seshadri; Claudia Felser

doi:10.1088/0022-3727/40/6/S13

paper

Electronic structure, magnetism, and disorder in the Heusler compound Co $_{2}$ TiSn

arXiv:cond-mat/0609578 · doi:10.1088/0022-3727/40/6/S13

Abstract

Polycrystalline 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.

11 pages and 5 figures

Electronic structure, magnetism, and disorder in the Heusler compound Co $_{2}$ TiSn

Abstract

References in corpus (5)

Cited by in corpus (5)

Electronic structure, magnetism, and disorder in the Heusler compound Co2​TiSn

Abstract

References in corpus (5)

Cited by in corpus (5)

Electronic structure, magnetism, and disorder in the Heusler compound Co $_{2}$ TiSn