Origin of the charge gap in LaMnPO

McNally, D. E.; Simonson, Jack W.; Post, K. W.; Yin, Zhiping P.; Pezzoli, M.; Smith, G. J.; Leyva, V.; Marques, C.; Debeer-Schmitt, Lisa M.; Kolesnikov, Alexander I.; Zhao, Yang; Lynn, J. W.; Basov, D. N.; Kotliar, G.; Aronson, Meigan C.

doi:10.1103/PhysRevB.90.180403

Title: Origin of the charge gap in LaMnPO

Journal Article · Tue Nov 18 00:00:00 EST 2014 · Physical Review B

DOI:https://doi.org/10.1103/PhysRevB.90.180403· OSTI ID:1265254

McNally, D. E. ^[1]; Simonson, Jack W. ^[1]; Post, K. W. ^[2]; Yin, Zhiping P. ^[3]; Pezzoli, M. ^[4]; Smith, G. J. ^[1]; Leyva, V. ^[1]; Marques, C. ^[1]; Debeer-Schmitt, Lisa M. ^[5]; Kolesnikov, Alexander I. ^[5]; Zhao, Yang ^[6]; Lynn, J. W. ^[6]; Basov, D. N. ^[2]; Kotliar, G. ^[3]; Aronson, Meigan C. ^[7]

Stony Brook Univ., NY (United States)
Univ. of California, San Diego, CA (United States)
Rutgers Univ., Piscataway, NJ (United States)
Stony Brook Univ., NY (United States); Rutgers Univ., Piscataway, NJ (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
Stony Brook Univ., NY (United States); Brookhaven National Lab. (BNL), Upton, NY (United States)

In this paper, we present high temperature inelastic neutron scattering and magnetic susceptibility measurements of the antiferromagnetic insulator LaMnPO that are consistent with the presence of two-dimensional magnetic correlations up to a temperature T_max≈700K»T_N=375 K, the Néel temperature. Optical transmission measurements show the T=300 K direct charge gap Δ=1 eV has decreased only marginally by 500 K and suggest it decreases by only 10% at T_max. Density functional theory and dynamical mean-field theory calculations reproduce a direct charge gap in paramagnetic LaMnPO only when a strong Hund's coupling J_H=0.9 eV is included, as well as on-site Hubbard U=8 eV. In conclusion, our results show that LaMnPO is a Mott-Hund's insulator, in which the charge gap is rather insensitive to antiferromagnetic exchange coupling.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1265254

Journal Information:: Physical Review B, Vol. 90, Issue 18; ISSN 2469-9950

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 17 works

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Thermopower of the electron-doped manganese pnictide LaMnAsO Zingl, Manuel; Kraberger, Gernot J.; Aichhorn, Markus Physical Review Materials, Vol. 3, Issue 7 https://doi.org/10.1103/physrevmaterials.3.075404	journal	July 2019
Intertwined Spin and Orbital Density Waves in MnP Uncovered by Resonant Soft X-Ray Scattering Pan, B. Y.; Jang, H.; Lee, J. -S. Physical Review X, Vol. 9, Issue 2 https://doi.org/10.1103/physrevx.9.021055	journal	June 2019
Short- and long-range magnetic order in LaMnAsO McGuire, Michael A.; Garlea, V. Ovidiu arXiv https://doi.org/10.48550/arxiv.1512.07085	text	January 2015
Thermopower of the electron-doped manganese pnictide LaMnAsO Zingl, Manuel; Kraberger, Gernot J.; Aichhorn, Markus arXiv https://doi.org/10.48550/arxiv.1907.04173	text	January 2019

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