Origin of the charge gap in LaMnPO

D. E. McNally; J. W. Simonson; K. W. Post; Z. P. Yin; M. Pezzoli; G. J. Smith; V. Leyva; C. Marques; L. Debeer-Schmitt; A. I. Kolesnikov; Y. Zhao; J. W. Lynn; D. N. Basov; G. Kotliar; M. C. Aronson

doi:10.1103/PhysRevB.90.180403

Origin of the charge gap in LaMnPO

D. E. McNally
, J. W. Simonson
, K. W. Post
, Z. P. Yin
, M. Pezzoli
, G. J. Smith
, V. Leyva
, C. Marques
, L. Debeer-Schmitt
, A. I. Kolesnikov
, Y. Zhao
, J. W. Lynn
, D. N. Basov
, G. Kotliar
, M. C. Aronson

Physics

Farmingdale State College

Research output: Contribution to journal › Article › peer-review

18 Scopus citations

Abstract

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 Tmax≈700KTN=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 Tmax. Density functional theory and dynamical mean-field theory calculations reproduce a direct charge gap in paramagnetic LaMnPO only when a strong Hund's coupling JH=0.9 eV is included, as well as on-site Hubbard U=8 eV. Our results show that LaMnPO is a Mott-Hund's insulator, in which the charge gap is rather insensitive to antiferromagnetic exchange coupling.

Original language	English
Article number	180403
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	90
Issue number	18
DOIs	https://doi.org/10.1103/PhysRevB.90.180403
State	Published - Nov 18 2014

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McNally, D. E., Simonson, J. W., Post, K. W., Yin, Z. P., Pezzoli, M., Smith, G. J., Leyva, V., Marques, C., Debeer-Schmitt, L., Kolesnikov, A. I., Zhao, Y., Lynn, J. W., Basov, D. N., Kotliar, G., & Aronson, M. C. (2014). Origin of the charge gap in LaMnPO. Physical Review B - Condensed Matter and Materials Physics, 90(18), Article 180403. https://doi.org/10.1103/PhysRevB.90.180403

@article{a078a8149309467881e9188e5aa5ebb1,

title = "Origin of the charge gap in LaMnPO",

abstract = "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 Tmax≈700KTN=375 K, the N{\'e}el 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 Tmax. Density functional theory and dynamical mean-field theory calculations reproduce a direct charge gap in paramagnetic LaMnPO only when a strong Hund's coupling JH=0.9 eV is included, as well as on-site Hubbard U=8 eV. Our results show that LaMnPO is a Mott-Hund's insulator, in which the charge gap is rather insensitive to antiferromagnetic exchange coupling.",

author = "McNally, \{D. E.\} and Simonson, \{J. W.\} and Post, \{K. W.\} and Yin, \{Z. P.\} and M. Pezzoli and Smith, \{G. J.\} and V. Leyva and C. Marques and L. Debeer-Schmitt and Kolesnikov, \{A. I.\} and Y. Zhao and Lynn, \{J. W.\} and Basov, \{D. N.\} and G. Kotliar and Aronson, \{M. C.\}",

note = "Publisher Copyright: {\textcopyright} 2014 American Physical Society.",

year = "2014",

month = nov,

day = "18",

doi = "10.1103/PhysRevB.90.180403",

language = "English",

volume = "90",

journal = "Physical Review B - Condensed Matter and Materials Physics",

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TY - JOUR

T1 - Origin of the charge gap in LaMnPO

AU - McNally, D. E.

AU - Simonson, J. W.

AU - Post, K. W.

AU - Yin, Z. P.

AU - Pezzoli, M.

AU - Smith, G. J.

AU - Leyva, V.

AU - Marques, C.

AU - Debeer-Schmitt, L.

AU - Kolesnikov, A. I.

AU - Zhao, Y.

AU - Lynn, J. W.

AU - Basov, D. N.

AU - Kotliar, G.

AU - Aronson, M. C.

PY - 2014/11/18

Y1 - 2014/11/18

N2 - 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 Tmax≈700KTN=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 Tmax. Density functional theory and dynamical mean-field theory calculations reproduce a direct charge gap in paramagnetic LaMnPO only when a strong Hund's coupling JH=0.9 eV is included, as well as on-site Hubbard U=8 eV. Our results show that LaMnPO is a Mott-Hund's insulator, in which the charge gap is rather insensitive to antiferromagnetic exchange coupling.

AB - 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 Tmax≈700KTN=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 Tmax. Density functional theory and dynamical mean-field theory calculations reproduce a direct charge gap in paramagnetic LaMnPO only when a strong Hund's coupling JH=0.9 eV is included, as well as on-site Hubbard U=8 eV. Our results show that LaMnPO is a Mott-Hund's insulator, in which the charge gap is rather insensitive to antiferromagnetic exchange coupling.

UR - https://www.scopus.com/pages/publications/84911375017

U2 - 10.1103/PhysRevB.90.180403

DO - 10.1103/PhysRevB.90.180403

M3 - Article

SN - 1098-0121

VL - 90

JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

IS - 18

M1 - 180403

ER -

Origin of the charge gap in LaMnPO

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