Abstract
The room temperature experimental Mn K-edge X-ray absorption spectra of La1 − x Sr x MnO3 (x = 0−0.7) are compared with the band structure calculations using spin polarized density functional theory. It is explicitly shown that the observed shift in the energy of Mn K-edge on substitution of divalent Sr on trivalent La sites corresponds to the shift in the center of gravity of the unoccupied Mn 4p-band contributing to the Mn K-absorption edge region. This correspondence is then used to separate the doping and size contributions to the edge shift due to variation in the number of electrons in valence band and Mn-O bond lengths, respectively, when Sr is doped into LaMnO3. Such separation is helpful to find the localization behaviour of charge carriers and to understand the observed transport properties of these compounds.
Similar content being viewed by others
References
M Imada, A Fujimori and Y Tokura, Rev. Mod. Phys. 70, 1039 (1998)
J M Coey, M Virett and S V Molnar, Adv. Phys. 48, 167 (1999)
E Dagotto, T Hotta and A Moreo, Phys. Rep. 344, 1 (2001)
J Hemberger et al, Phys. Rev. B66, 094410 (2002)
A J Millis, Nature (London) 392, 147 (1998)
A J Millis et al, Phys. Rev. Lett. 74, 5144 (1995)
T V Ramakrishnan et al, Phys. Rev. Lett. 92, 157203 (2004)
L V Azaroff, X-ray spectroscopy (McGraw Hill, NY, 1974)
M Croft et al, Phys. Rev. B55, 8726 (1997)
G Subias et al, Phys. Rev. B56, 8183 (1997)
J Garcia et al, J. Phys.: Condens. Matter 13, 3229 (2001)
A Y Ignatov et al, Phys. Rev. B64, 014413 (2001)
F Bridges et al, Phys. Rev. B63, 214405 (2001)
Q Qian et al, Phys. Rev. B64, 024430 (2001)
R Bindu, Euro. Phys. J. B37, 321 (2004)
R Bindu et al, J. Phys.: Condens. Matter 17, 6393 (2005)
S Y Savrasov, Phys. Rev. B54, 16470 (1996)
J P Perdew, K Burke and M Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996)
P Ravindran et al, Phys. Rev. B65, 064445 (2002)
T Shibata, B A Bunker and J F Mitchell, Phys. Rev. B68, 024103 (2003)
I Gordon et al, Phys. Rev. B62, 11633 (2000)
P Majumdar et al, Phys. Rev. B59, 4746 (1999)
A Asamitsu and Y Tokura, Phys. Rev. B58, 47 (1998)
A Urushibara et al, Phys. Rev. B51, 14103 (1995)
Author information
Authors and Affiliations
Corresponding author
Rights and permissions
About this article
Cite this article
Pandey, S.K., Bindu, R., Kumar, A. et al. Doping and bond length contributions to Mn K-edge shift in La1 − x Sr x MnO3 (x=0−0.7) and their correlation with electrical transport properties. Pramana - J Phys 70, 359–366 (2008). https://doi.org/10.1007/s12043-008-0054-8
Published:
Issue Date:
DOI: https://doi.org/10.1007/s12043-008-0054-8