Quasianalytical treatment of the spin Seebeck effect on the Na2 molecule

G. Lefkidis and S. A. Reyes
Phys. Rev. B 94, 144433 – Published 24 October 2016

Abstract

We present a method to calculate from first principles the spin Seebeck effect on finite systems. Our method, which is suited for all ab initio, quantum-chemistry-based results, is demonstrated quasianalytically on the Na2 dimer. To this end we start from the analytical solutions of the many-body wave function for the minimal Na2 molecule and propagate it numerically in time using the Liouville-von Neumann equation of motion. The system is coupled to two baths with different temperatures, described with a Lindblad superoperator. We mainly focus on the concept of how to divide any operator into several spatially localized contributions and show that the spatial localization of the virtual excitations (i.e., splitting of the ladder operators into two sets of localized operators with different eigenbases) is the underlying reason for the spin Seebeck effect. Last but not least, we analyze the entanglement of the system and find that the maxima of the Laplacian of the negativity coincide with the change of the direction of the spin Seebeck effect.

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  • Received 22 March 2016
  • Revised 29 September 2016

DOI:https://doi.org/10.1103/PhysRevB.94.144433

©2016 American Physical Society

Physics Subject Headings (PhySH)

  1. Research Areas
  1. Physical Systems
Condensed Matter, Materials & Applied Physics

Authors & Affiliations

G. Lefkidis1,2,* and S. A. Reyes3

  • 1Department of Physics and Research Center OPTIMAS, Kaiserslautern University of Technology P.O. Box 3049, 67653, Kaiserslautern, Germany
  • 2School of Mechanics, Civil Engineering and Architecture, Northwestern Polytechnical University, Xi'an 710072, China
  • 3Facultad de Física, Pontificia Universidad Católica de Chile, Casilla 306, Santiago 22, Chile

  • *lefkidis@physik.uni-kl.de

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Issue

Vol. 94, Iss. 14 — 1 October 2016

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