Modeling of Co overlayers on Pd (111) from first principles

S. Uba; L. Uba; V. N. Antonov

doi:10.1117/12.726710

10 April 2007 Modeling of Co overlayers on Pd (111) from first principles

S. Uba, L. Uba, V. N. Antonov

Proceedings Volume 6597, Nanodesign, Technology, and Computer Simulations; 659707 (2007) https://doi.org/10.1117/12.726710
Event: Nanodesign, Technology, and Computer Simulations, 2006, Olsztyn, Poland

Abstract

The electronic, magnetic and magneto-optical properties of Co overlayers on Pd (1 1 1) substrate have been investigated by ab initio band structure calculations within the spin-polarized relativistic linear muffin-thin orbitals (LMTO) method and supercell approach. The role of the Co-Pd interface structure, the number of the Co atomic layers ( n_Co ), as well as the spin-orbit interaction and induced Pd spin polarization, in formation of magneto-optical response of the structures for [ n_CoCo/Pd (1 1 1)] system is shown. The sign reversal of the polar Kerr rotation obtained theoretically with decreasing thickness of Co overlayers agrees well with experiment. We will demonstrate the effectiveness of the extended numeric modeling of magneto-optical properties from first principles.

Citation Download Citation

S. Uba, L. Uba, and V. N. Antonov "Modeling of Co overlayers on Pd (111) from first principles", Proc. SPIE 6597, Nanodesign, Technology, and Computer Simulations, 659707 (10 April 2007); https://doi.org/10.1117/12.726710

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