Pressure induced insulator/half-metal/metal transition in a strongly correlated p-electron system

S. Naghavi, S. Chadov, C. Felser, G. H. Fecher, J. Kübler, K. Doll, and M. Jansen
Phys. Rev. B 85, 205125 – Published 14 May 2012

Abstract

Mixed-valent Rb4O6 provides an exceptional prototype material for studying the interplay between local correlations (Hubbard U) and electron kinetic energy (W) in the open sp-electron shell. Based on a first-principles calculation we show that depending on U/W ratio, when tuned by external pressure, Rb4O6 exhibits a surprising sequence of phase transitions between strongly correlated antiferromagnetic insulator, ferromagnetic insulator (U/W1), moderately correlated ferromagnetic half-metal (U/W1), and finally itinerant nonmagnetic metal (U/W1). This sequence, which is counterintuitive to the usual Bethe-Slater scenario, in addition exhibits the fully spin-polarized half-metallic ferromagnetic state revealed within the insulator-metal transition regime.

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  • Received 10 February 2012

DOI:https://doi.org/10.1103/PhysRevB.85.205125

©2012 American Physical Society

Authors & Affiliations

S. Naghavi1, S. Chadov1, C. Felser1, G. H. Fecher1, J. Kübler2, K. Doll3, and M. Jansen3

  • 1Institut für Anorganische Chemie und Analytische Chemie, Johannes Gutenberg Universtität, 55099 Mainz, Germany
  • 2Institut für Festkörperphysik, Technische Universität Darmstadt, 64289 Darmstadt, Germany
  • 3Max-Planck-Institute for Solid State Research, 70569 Stuttgart, Germany

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Issue

Vol. 85, Iss. 20 — 15 May 2012

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