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Dresden 2003 – wissenschaftliches Programm

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MA: Magnetismus

MA 26: Elektronentheorie

MA 26.10: Vortrag

Donnerstag, 27. März 2003, 17:30–17:45, HSZ/401

Anisotropic Bonding and Unconventional Metallic Magnetism in LaCrSb3 — •Manuel Richter1, Jan Rusz2, Helge Rosner3, Klaus Koepernik1, Ingo Opahle1, Ulrike Nitzsche1, and Helmut Eschrig11IFW Dresden, PF 270 116, D-01171 Dresden — 2Department of Electronic Structures, Charles University, Ke Karlovu 5, CZ-121 16 Praha 2 — 3MPI Chemical Physics of Solids, Nöthnitzer Str. 40, D-01187 Dresden

The intermetallic compound LaCrSb3 is a noncollinear ferromagnet with an ordered moment of about 1.9 µB at Cr, oriented in the b-direction of the orthorhombic structure with alternating tilting. The spin structure flips, without changing its internal arrangement, into the c-direction at Tsr= 95 K. Such a spin reorientation is usually a sign of competing magnetic interactions. In the present case, it was discussed as indication for coexistance of localized and itinerant spins due to the highly anisotropic crystal structure of LaCrSb3 that may lead to different degrees of hybridization of the Cr 3d orbitals [1].

We confirm this point of view by electronic structure calculations in the local spin density approximation. While the fully polarized 3d-states with |ml|=1 show almost no dispersion, the other 3d-states can be identified as itinerant, weakly polarized states. Assuming collinear order, we find a moment about 10% larger than the experimental moment. The calculations were carried out with the WIEN2k and FPLO-2 methods.

[1] E. Granado et al., Phys. Rev. Lett. 89 (2002) 107204.

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