DOPING AND BOND LENGTH CONTRIBUTIONS TO Mn K-EDGE SHIFT IN La1-xSrxMnO3 AND THEIR CORRELATION WITH ELECTRICAL TRANSPORT BEHAVIOUR.
The experimental Mn K-edge x-ray absorption spectra of La{sub 1-x}Sr{sub x}MnO{sub 3}, x = 0 - 0.7 are compared with the band structure calculations using spin polarized density functional theory. It is explicitly shown that there is a correspondence between the inflection point on the absorption edge and the center of gravity of the unoccupied Mn 4p-band. This correspondence has been used to separate the doping and size contributions to edge shift due to variation in number of electrons in valence band and Mn-O bond lengths, respectively when Sr is doped into LaMnO{sub 3}. Such separation is helpful to find the localization behavior of charge carriers and to understand the observed transport properties and type of charge carrier participating in the conduction process in these compounds.
- Research Organization:
- Brookhaven National Lab. (BNL), Upton, NY (United States)
- Sponsoring Organization:
- Doe - Office Of Science
- DOE Contract Number:
- DE-AC02-98CH10886
- OSTI ID:
- 909956
- Report Number(s):
- BNL-77918-2007-CP; R&D Project: 07800; KC0204011; TRN: US200723%%75
- Resource Relation:
- Conference: INTERNATIONAL WORKSHOP ON MESOSCOPIC AND DISORDERED MATERIALS; INDIAN INSTITUTE OF TECHNOLOGY KANPUR, DEPT. OF PHYSICS, KANPUR, INDIA; 20061204 through 20061208
- Country of Publication:
- United States
- Language:
- English
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