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Volumn 79, Issue 3, 2009, Pages

Investigation of local symmetry effects on the electronic structure of manganites: Hexagonal YMnO3 versus orthorhombic LaMnO3

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EID: 60349115775     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.79.035116     Document Type: Article
Times cited : (22)

References (29)
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    • A. Filippetti and N. A. Hill, Phys. Rev. B 65, 195120 (2002). 10.1103/PhysRevB.65.195120
    • (2002) Phys. Rev. B , vol.65 , pp. 195120
    • Filippetti, A.1    Hill, N.A.2
  • 18
    • 0037095451 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.65.205111
    • M. Nicastro and C. H. Patterson, Phys. Rev. B 65, 205111 (2002). 10.1103/PhysRevB.65.205111
    • (2002) Phys. Rev. B , vol.65 , pp. 205111
    • Nicastro, M.1    Patterson, C.H.2
  • 19
    • 0035890832 scopus 로고    scopus 로고
    • This ratio turns out to be consistent with the OK - and Mn L2,3 -edge XAS spectra (Ref.) and the second-harmonic experiment results [see, e.g., 10.1103/PhysRevB.64.201103
    • This ratio turns out to be consistent with the OK - and Mn L2,3 -edge XAS spectra (Ref.) and the second-harmonic experiment results [see, e.g., A. V. Kimel, R. V. Pisarev, F. Bentivegna, and T. Rasing, Phys. Rev. B 64, 201103 (R) (2001)]. 10.1103/PhysRevB.64.201103
    • (2001) Phys. Rev. B , vol.64 , pp. 201103
    • Kimel, A.V.1    Pisarev, R.V.2    Bentivegna, F.3    Rasing, T.4
  • 21
    • 0038658155 scopus 로고    scopus 로고
    • In this setting, electronic structures projected on the sample c -axis direction can be distinguished from those projected on the sample ab plane by the polarization-dependent spectroscopies [see, e.g. 10.1103/PhysRevB.57.R3189
    • In this setting, electronic structures projected on the sample c -axis direction can be distinguished from those projected on the sample ab plane by the polarization-dependent spectroscopies [see, e.g., J. Rodríguez- Carvajal, M. Hennion, F. Moussa, A. H. Moudden, L. Pinsard, and A. Revcolevschi, Phys. Rev. B 57, R3189 (1998)]. 10.1103/PhysRevB.57.R3189
    • (1998) Phys. Rev. B , vol.57 , pp. 3189
    • Rodríguez-Carvajal, J.1    Hennion, M.2    Moussa, F.3    Moudden, A.H.4    Pinsard, L.5    Revcolevschi, A.6
  • 23
    • 0001593511 scopus 로고    scopus 로고
    • The Mn-O bond lengths in LaMnO3 are 1.91, 1.97, and 2.17 Å 10.1103/PhysRevB.56.8902
    • The Mn-O bond lengths in LaMnO3 are 1.91, 1.97, and 2.17 Å [C. Ritter, M. R. Ibarra, J. M. De Teresa, P. A. Algarabel, C. Marquina, J. Blasco, J. García, S. Oseroff, and S. W. Cheong, Phys. Rev. B 56, 8902 (1997)]. Two shorter bonds can be approximated to be identical, so that the octahedron would have the D4h symmetry. 10.1103/PhysRevB.56.8902
    • (1997) Phys. Rev. B , vol.56 , pp. 8902
    • Ritter, C.1    Ibarra, M.R.2    De Teresa, J.M.3    Algarabel, P.A.4    Marquina, C.5    Blasco, J.6    García, J.7    Oseroff, S.8    Cheong, S.W.9
  • 27
    • 60349098885 scopus 로고    scopus 로고
    • U and Δ 's were 4.0-4.5 eV and the Mn2p-3d Coulomb energies (Upd) were 5.0-5.5 eV for both manganites. The Slater integrals were taken as (50-80)% of the atomic Hartree-Fock values to account for the spread of the 3d wave functions in the crystal. For the Mn L2,3 -edge XAS simulation, the CF splitting energies (the Slater integrals) were reduced (enhanced) by ≲25% (≲10%) from the values for the OK edge's (Table 2) to account for the core-hole effects.
    • U and Δ 's were 4.0-4.5 eV and the Mn2p-3d Coulomb energies (Upd) were 5.0-5.5 eV for both manganites. The Slater integrals were taken as (50-80)% of the atomic Hartree-Fock values to account for the spread of the 3d wave functions in the crystal. For the Mn L2,3 -edge XAS simulation, the CF splitting energies (the Slater integrals) were reduced (enhanced) by ≲25% (≲10%) from the values for the OK edge's (Table 2) to account for the core-hole effects.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.