Regensburg 2007 – wissenschaftliches Programm
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MA: Fachverband Magnetismus
MA 15: Poster:ThinFilms(1-33),Transp.(34-49),ExchBias(50-56),
Spindynamics(57-70),Micro-nanostr.Mat.(71-82),
Particles/Clust.(83-88), Mag.Imag./Surface(89-96),
Spinelectronics(97-109), Theory/Micromag.(110-116),
Spinstruct/Phasetr.(117-128),Magn.Mat.(129-139),
Aniso.+Measuring(140-145), MolMag.(146-152),
MSMA(153-156)
MA 15.130: Poster
Dienstag, 27. März 2007, 15:00–19:00, Poster A
Electronic structure and magnetic properties of the ThxY1−xCo4B intermetallic compounds — •Diana Benea1, Viorel Pop1, and Olivier Isnard2 — 1Babes Bolyai University, Faculty of Physics, Cluj-Napoca, Romania — 2Laboratoire de Cristallographie du CNRS, Joseph Fourier University, 38042 Grenoble, France
Detailed theoretical and experimental investigations on the electronic and magnetic properties of the ThxY1−xCo4B compounds have been performed. All investigations of the electronic, magnetic and structural properties have been done using the fully relativistic spin polarized Korringa-Kohn-Rostoker (SPR-KKR) band structure method in ferromagnetic state. The disorder in the system has been accounted for by means of the Coherent Potential Approximation (CPA). The ThCo4B compound orders ferromagnetically at 303 K, whilst the isotypic YCo4B compound has a higher Curie temperature (380 K). The SPR-KKR calculated total magnetic moment decrease with Th concentration from 2.49 µB/f.u. for YCo4B to 1.64 µB/f.u. for ThCo4B. The magnetization measurements show a similar decrease of the magnetic moment with Th content from 2.90 µB/f.u. for YCo4B to 1.49 µB/f.u. for ThCo4B. The values of the Co magnetic moments depend strongly on the local environment. The preferential occupation of the Th/Y atoms evidenced by X-ray and neutron scattering experiments is investigated by theoretical calculations. In addition, the influence of the preferential occupation on the magnetic properties of the system is discussed.