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Manganites; X-ray absorption; density of states; resistivity.

The room temperature experimental Mn K-edge X-ray absorption spectra of La$_{1-x}$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.

S K Pandey¹ R Bindu^{1 2} Ashwini Kumar^{3 4} S Khalid⁵ A V Pimpale¹

1. UGC-DAE Consortium for Scienti¯c Research, University Campus, Khandwa Road, Indore 452 017, India
2. Material Science Division, Indira Gandhi Center for Atomic Research, Kalpakkam, India
3. School of Physics, Devi Ahilya University, Khandwa Road, Indore 452 017, India
4. Department of Physics, Institute of Science and Laboratory Education, IPS Academy, Indore 452 012, India
5. National Synchrotron Light Source, Brookhaven National Laboratory, Upton, NY-11973, USA

Published

February 2008