A new class of half-metallic ferromagnets based on the pnictide superconductors from first principles.

ORAL

Abstract

Most theoretical and experimental efforts in the Fe-pnictide class of superconductors aim to optimize the superconducting Tc. Significant substitution with other transition-metal ions is detrimental to superconductivity, however recent experiments on doped BaMn$_{2}$As$_{2}$ point to its potential as a half-metallic ferromagnet. Using ab initio calculations we investigate Mn-based structures as a new family of half-metallic ferromagnets, and discuss tuning the chemical composition and physical parameters for optimal device performance.

*Support from Swiss National Science Foundation

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Authors

  • Sinead Griffin

    • Lawrence Berkeley Natl Lab/UC Berkeley

  • Jeffrey Neaton

    • University of California, Berkeley; Lawrence Berkeley National Laboratory
    • Lawrence Berkeley Natl Lab/UC Berkeley
    • Physics Department, UC Berkeley, The Molecular Foundry, LBNL \& Kavli Energy NanoSciences Institute at Berkeley, Berkeley, CA
    • Molecular Foundry, Lawrence Berkeley National Lab; Department of Physics, University of California Berkeley; Kavli Energy NanoSciences Insitute
    • Molecular Foundry, LBNL; Dept. of Physics, UC Berkeley; Kavli ENSI
    • UC Berkeley; Molecular Foundry, LBNL; Kavli Energy Nanosciences Institute at Berkeley
    • Dept. of Physics, UC Berkeley \& Lawrence Berkeley National Lab (USA)
    • Molecular Foundry, LBNL, Dept. of Physics, UC-Berkeley and Kavli ESNI at Berkeley
    • Molecular Foundry, Lawrence Berkeley National Laboratory
    • Physics Department, UC Berkeley; Molecular Foundry, Lawrence Berkeley National Lab; Kavli Energy NanoSciences Institute at Berkeley