Berlin 2015 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 11: Magnetic Heuslers, Half-Metals and Oxides (jointly with MA)

TT 11.4: Talk

Monday, March 16, 2015, 10:15–10:30, H 0112

Advantages of constructive disorder: design of the spin-selective electron localization in Mn₃Ga-derivatives — •Stanislav Chadov, Sunil Wilfred D’Souza, Lukas Wollmann, and Claudia Felser — Max-Planck-Institut für Chemische Physik fester Stoffe, Dresden

Understanding the role of disorder opens new alternatives in the state-of-the-art design of the multicomponent materials. Theoretically we will try to design a situation in which the constructive disorder serves as a mechanism preventing the propagation of certain quasiparticles, namely the spin-down electrons – the so-called spin-selective electron localization. Here we make use of chemical disorder induced by the small stoichiometric variations. As a suitable example, we take a non-halfmetallic Mn₃Ga Heusler, and subsequently develop the appropriate constructive disorder scheme justifyed by the first-principles calculations based on the Coherent Potential Approximation (CPA) and Kubo-Greenwood linear response formalsim within the framework of the SPR-KKR Green’s function method. As it follows from our results, almost any relatively small substitution of Mn by other 3d transition element (except of Cu) leads to a dramatic increase of the spin-polarization along the tetragonal crystalline axis.