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Title: Effects of strong interactions in a half-metallic magnet: A determinant quantum Monte Carlo study

Abstract

Understanding the effects of electron-electron interactions in half-metallic magnets (HMs), which have band structures with one gapped spin channel and one metallic channel, poses fundamental theoretical issues as well as having importance for their potential applications. Here we use determinant quantum Monte Carlo to study the impacts of an on-site Hubbard interaction U, finite temperature, and an external (Zeeman) magnetic field on a bilayer tight-binding model which is a half-metal in the absence of interactions, by calculating the spectral density, conductivity, spin polarization of carriers, and local magnetic properties. We quantify the effect of U on the degree of thermal depolarization, and follow relative band shifts and monitor when significant gap states appear, each of which can degrade the HM character. For this model, Zeeman coupling induces, at fixed particle number, two successive transitions: compensated half-metal with spin-down band gap → metallic ferromagnet → saturated ferromagnetic insulator. However, over much of the more relevant parameter regime, the half-metallic properties are rather robust to U.

Authors:
 [1];  [1];  [1]
  1. Univ. of California, Davis, CA (United States)
Publication Date:
Research Org.:
Univ. of California, Davis, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1343450
Alternate Identifier(s):
OSTI ID: 1104015; OSTI ID: 1344309
Grant/Contract Number:  
NA0001842
Resource Type:
Accepted Manuscript
Journal Name:
Physical Review. B, Condensed Matter and Materials Physics
Additional Journal Information:
Journal Volume: 87; Journal Issue: 16; Journal ID: ISSN 1098-0121
Publisher:
American Physical Society (APS)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; half-metallic ferromagnet; interactions; quantum Mont Carlo

Citation Formats

Jiang, M., Pickett, W. E., and Scalettar, R. T. Effects of strong interactions in a half-metallic magnet: A determinant quantum Monte Carlo study. United States: N. p., 2013. Web. doi:10.1103/PhysRevB.87.165101.
Jiang, M., Pickett, W. E., & Scalettar, R. T. Effects of strong interactions in a half-metallic magnet: A determinant quantum Monte Carlo study. United States. doi:10.1103/PhysRevB.87.165101.
Jiang, M., Pickett, W. E., and Scalettar, R. T. Wed . "Effects of strong interactions in a half-metallic magnet: A determinant quantum Monte Carlo study". United States. doi:10.1103/PhysRevB.87.165101. https://www.osti.gov/servlets/purl/1343450.
@article{osti_1343450,
title = {Effects of strong interactions in a half-metallic magnet: A determinant quantum Monte Carlo study},
author = {Jiang, M. and Pickett, W. E. and Scalettar, R. T.},
abstractNote = {Understanding the effects of electron-electron interactions in half-metallic magnets (HMs), which have band structures with one gapped spin channel and one metallic channel, poses fundamental theoretical issues as well as having importance for their potential applications. Here we use determinant quantum Monte Carlo to study the impacts of an on-site Hubbard interaction U, finite temperature, and an external (Zeeman) magnetic field on a bilayer tight-binding model which is a half-metal in the absence of interactions, by calculating the spectral density, conductivity, spin polarization of carriers, and local magnetic properties. We quantify the effect of U on the degree of thermal depolarization, and follow relative band shifts and monitor when significant gap states appear, each of which can degrade the HM character. For this model, Zeeman coupling induces, at fixed particle number, two successive transitions: compensated half-metal with spin-down band gap → metallic ferromagnet → saturated ferromagnetic insulator. However, over much of the more relevant parameter regime, the half-metallic properties are rather robust to U.},
doi = {10.1103/PhysRevB.87.165101},
journal = {Physical Review. B, Condensed Matter and Materials Physics},
number = 16,
volume = 87,
place = {United States},
year = {2013},
month = {4}
}

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