An ab-initio DFT study of electronic structure of SrMO[sub 3] perovskites (M = Rh and Ru)
In: AIP Conference Proceedings, 2013
Online
unknown
Zugriff:
Ab-initio band structure calculations in the local density approximations (LDA) as well as in the generalized gradient approximations (GGA) have been used to determine the electronic structure of SrMO3 where M stands for Rh and Ru. Occurrence of negligible or no band gap proves them to be metallic. Band structures are found to compare well with the available data in the literature showing the relevance of this approach. ABINIT computer code has been used to carry out all the calculations.
Titel: |
An ab-initio DFT study of electronic structure of SrMO[sub 3] perovskites (M = Rh and Ru)
|
---|---|
Autor/in / Beteiligte Person: | Sharma, Smita ; Sharma, K. S. ; Daga, Avinash |
Link: | |
Zeitschrift: | AIP Conference Proceedings, 2013 |
Veröffentlichung: | AIP, 2013 |
Medientyp: | unknown |
ISSN: | 0094-243X (print) |
DOI: | 10.1063/1.4810608 |
Schlagwort: |
|
Sonstiges: |
|