Spin-rotational-invariant theory of transition-metal magnetism at finite temperatures: Systematic study of a single-site model

G. M. Pastor and J. Dorantes-Dávila
Phys. Rev. B 93, 214435 – Published 27 June 2016

Abstract

A spin-rotational-invariant approach to the spin-fluctuation theory of itinerant-electron magnetism is proposed and evaluated in the framework of a d-band model Hamiltonian including intra-atomic exchange interactions J and the coupling to a local magnetic field B. Using a vector-field Hubbard-Stratonovich transformation, we obtain a static approximation to the density matrix operator from which the equilibrium properties are directly derived. The method is applied to a single-site model taking Fe as a representative example. Exact and approximate analytical results are given for the local magnetic moments, their longitudinal and transversal components, the field-induced magnetizations, entropy, and heat capacity. Goals and limitations of various approximations are discussed as a function of J,B, and temperature. The quantum-mechanical origin of some important drawbacks found in previous vector-field static approaches is identified. The significant improvements achieved with the static density operator are demonstrated.

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  • Received 3 March 2016

DOI:https://doi.org/10.1103/PhysRevB.93.214435

©2016 American Physical Society

Physics Subject Headings (PhySH)

Condensed Matter, Materials & Applied Physics

Authors & Affiliations

G. M. Pastor

  • Institut für Theoretische Physik, Universität Kassel, Heinrich Plett Strasse 40, 34132 Kassel, Germany

J. Dorantes-Dávila

  • Instituto de Física, Universidad Autónoma de San Luis Potosí, Alvaro Obregón 64, 78000 San Luis Potosí, Mexico

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Issue

Vol. 93, Iss. 21 — 1 June 2016

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