Coulomb correlation and magnetic ordering in double-layered manganites: LaSr2Mn2O7

Julia E. Medvedeva, Vladimir I. Anisimov, Michael A. Korotin, Oleg N. Mryasov, Arthur J Freeman

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

A detailed study of the electronic structure and magnetic configurations of the 50% hole-doped double-layered manganite LaSr2Mn2O7 is presented. We demonstrate that the on-site Coulomb correlation (U) of Mn d electrons (i) significantly modifies the electronic structure, magnetic ordering (from FM to AFM), and interlayer exchange interactions, and (ii) promotes strong anisotropy in electrical transport, reducing the effective hopping parameter along the c-axis for electrically active eg electrons. This finding is consistent with observations of anisotropic transport-a property which sets this manganite apart from conventional 3D systems. A half-metallic band structure is predicted with both the LSDA and LSDA+U methods. The experimentally observed A-type AFM ordering in LaSr2Mn2O7 is found to be energetically more favorable with U≥7eV. A simple interpretation of interlayer exchange coupling is given within double and super-exchange mechanisms based on the dependencies on U of the effective exchange parameters and eg state sub-band widths.

Original languageEnglish
Pages (from-to)47-54
Number of pages8
JournalJournal of Magnetism and Magnetic Materials
Volume237
Issue number1
DOIs
Publication statusPublished - Nov 2001

Fingerprint

Manganites
Electronic structure
interlayers
Magnetization
atomic force microscopy
electronic structure
Exchange coupling
Electrons
Exchange interactions
Band structure
frequency modulation
Anisotropy
electrons
bandwidth
Bandwidth
anisotropy
configurations
interactions
manganite

Keywords

  • Anisotropy in electrical transport
  • Double-layered manganite
  • Half-metallic

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

Coulomb correlation and magnetic ordering in double-layered manganites : LaSr2Mn2O7. / Medvedeva, Julia E.; Anisimov, Vladimir I.; Korotin, Michael A.; Mryasov, Oleg N.; Freeman, Arthur J.

In: Journal of Magnetism and Magnetic Materials, Vol. 237, No. 1, 11.2001, p. 47-54.

Research output: Contribution to journalArticle

Medvedeva, Julia E. ; Anisimov, Vladimir I. ; Korotin, Michael A. ; Mryasov, Oleg N. ; Freeman, Arthur J. / Coulomb correlation and magnetic ordering in double-layered manganites : LaSr2Mn2O7. In: Journal of Magnetism and Magnetic Materials. 2001 ; Vol. 237, No. 1. pp. 47-54.
@article{ed084ec8d1e3422c91cb4b48c6dd133a,
title = "Coulomb correlation and magnetic ordering in double-layered manganites: LaSr2Mn2O7",
abstract = "A detailed study of the electronic structure and magnetic configurations of the 50{\%} hole-doped double-layered manganite LaSr2Mn2O7 is presented. We demonstrate that the on-site Coulomb correlation (U) of Mn d electrons (i) significantly modifies the electronic structure, magnetic ordering (from FM to AFM), and interlayer exchange interactions, and (ii) promotes strong anisotropy in electrical transport, reducing the effective hopping parameter along the c-axis for electrically active eg electrons. This finding is consistent with observations of anisotropic transport-a property which sets this manganite apart from conventional 3D systems. A half-metallic band structure is predicted with both the LSDA and LSDA+U methods. The experimentally observed A-type AFM ordering in LaSr2Mn2O7 is found to be energetically more favorable with U≥7eV. A simple interpretation of interlayer exchange coupling is given within double and super-exchange mechanisms based on the dependencies on U of the effective exchange parameters and eg state sub-band widths.",
keywords = "Anisotropy in electrical transport, Double-layered manganite, Half-metallic",
author = "Medvedeva, {Julia E.} and Anisimov, {Vladimir I.} and Korotin, {Michael A.} and Mryasov, {Oleg N.} and Freeman, {Arthur J}",
year = "2001",
month = "11",
doi = "10.1016/S0304-8853(01)00487-5",
language = "English",
volume = "237",
pages = "47--54",
journal = "Journal of Magnetism and Magnetic Materials",
issn = "0304-8853",
publisher = "Elsevier",
number = "1",

}

TY - JOUR

T1 - Coulomb correlation and magnetic ordering in double-layered manganites

T2 - LaSr2Mn2O7

AU - Medvedeva, Julia E.

AU - Anisimov, Vladimir I.

AU - Korotin, Michael A.

AU - Mryasov, Oleg N.

AU - Freeman, Arthur J

PY - 2001/11

Y1 - 2001/11

N2 - A detailed study of the electronic structure and magnetic configurations of the 50% hole-doped double-layered manganite LaSr2Mn2O7 is presented. We demonstrate that the on-site Coulomb correlation (U) of Mn d electrons (i) significantly modifies the electronic structure, magnetic ordering (from FM to AFM), and interlayer exchange interactions, and (ii) promotes strong anisotropy in electrical transport, reducing the effective hopping parameter along the c-axis for electrically active eg electrons. This finding is consistent with observations of anisotropic transport-a property which sets this manganite apart from conventional 3D systems. A half-metallic band structure is predicted with both the LSDA and LSDA+U methods. The experimentally observed A-type AFM ordering in LaSr2Mn2O7 is found to be energetically more favorable with U≥7eV. A simple interpretation of interlayer exchange coupling is given within double and super-exchange mechanisms based on the dependencies on U of the effective exchange parameters and eg state sub-band widths.

AB - A detailed study of the electronic structure and magnetic configurations of the 50% hole-doped double-layered manganite LaSr2Mn2O7 is presented. We demonstrate that the on-site Coulomb correlation (U) of Mn d electrons (i) significantly modifies the electronic structure, magnetic ordering (from FM to AFM), and interlayer exchange interactions, and (ii) promotes strong anisotropy in electrical transport, reducing the effective hopping parameter along the c-axis for electrically active eg electrons. This finding is consistent with observations of anisotropic transport-a property which sets this manganite apart from conventional 3D systems. A half-metallic band structure is predicted with both the LSDA and LSDA+U methods. The experimentally observed A-type AFM ordering in LaSr2Mn2O7 is found to be energetically more favorable with U≥7eV. A simple interpretation of interlayer exchange coupling is given within double and super-exchange mechanisms based on the dependencies on U of the effective exchange parameters and eg state sub-band widths.

KW - Anisotropy in electrical transport

KW - Double-layered manganite

KW - Half-metallic

UR - http://www.scopus.com/inward/record.url?scp=0035498525&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0035498525&partnerID=8YFLogxK

U2 - 10.1016/S0304-8853(01)00487-5

DO - 10.1016/S0304-8853(01)00487-5

M3 - Article

AN - SCOPUS:0035498525

VL - 237

SP - 47

EP - 54

JO - Journal of Magnetism and Magnetic Materials

JF - Journal of Magnetism and Magnetic Materials

SN - 0304-8853

IS - 1

ER -