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

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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{b81221a5d911447d9a431246ada67905,

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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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 - http://www.scopus.com/inward/record.url?scp=84911375017&partnerID=8YFLogxK

U2 - 10.1103/PhysRevB.90.180403

DO - 10.1103/PhysRevB.90.180403

M3 - Article

AN - SCOPUS:84911375017

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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