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Electronic structure and magnetic susceptibility of nearly magnetic metals (palladium and platinum)

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Abstract

A self-consistent approach to calculations of the electronic structure and the magnetic susceptibility of nearly magnetic metals, such as palladium and platinum, has been developed in terms of the generalized s(p)d Hubbard model. The energy band structure has been calculated using the ab initio LDA + U + SO method with the additional inclusion of the interstitial s(p)d exchange interaction and spin-fluctuation renormalizations of the electronic spectra, which appear at finite temperatures. The developed approach makes it possible to quantitatively describe the density of states and unusual temperature dependences of the magnetic susceptibility of the nearly magnetic metals under consideration and to evaluate the basic parameters of the electron-electron interactions. The role of the spin-orbit interaction in the formation of the electronic and magnetic properties is enhanced when going from palladium (4d period) to platinum (5d period). The effects of the temperature redistribution of electrons between the s(p) and d states have been revealed.

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Correspondence to A. A. Povzner.

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Original Russian Text © A.A. Povzner, A.G. Volkov, A.N. Filanovich, 2010, published in Fizika Tverdogo Tela, 2010, Vol. 52, No. 10, pp. 1879–1884.

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Povzner, A.A., Volkov, A.G. & Filanovich, A.N. Electronic structure and magnetic susceptibility of nearly magnetic metals (palladium and platinum). Phys. Solid State 52, 2012–2018 (2010). https://doi.org/10.1134/S1063783410100021

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  • DOI: https://doi.org/10.1134/S1063783410100021

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