Skip navigation
Please use this identifier to cite or link to this item: http://repository.iitr.ac.in/handle/123456789/18250
Title: Comparative study of NaTiO2 and NaNiO2 using first principle calculations
Authors: Dhariwal M.
Maitra T.
Singh I.
Published in: Proceedings of AIP Conference
Abstract: The electronic band structure of NaTiO2 and NaNiO2 in their low temperature phase is studied using full potential LAPW method within LSDA+U approach. Magnetic and orbital order is studied for both the compounds in their low temperature phase. Various energy scales such as crystal field splitting, Jahn Teller splitting, exchange splitting etc. are estimated and compared for these two systems. © 2013 American Institute of Physics.
Citation: Proceedings of AIP Conference, (2013), 824- 825. Bombay, Mumbai
URI: https://doi.org/10.1063/1.4791292
http://repository.iitr.ac.in/handle/123456789/18250
Issue Date: 2013
Keywords: Density. Functional Theory
WIEN2K
ISBN: 9780735411333
ISSN: 0094243X
Author Scopus IDs: 55329927700
7004183343
57206594996
Author Affiliations: Dhariwal, M., Department of Physics, Indian Institute of Technology, Roorkee-247667, Uttarakhand, India
Maitra, T., Department of Physics, Indian Institute of Technology, Roorkee-247667, Uttarakhand, India
Singh, I., Department of Physics, Indian Institute of Technology, Roorkee-247667, Uttarakhand, India
Corresponding Author: Dhariwal, M.; Department of Physics, Indian Institute of Technology, Roorkee-247667, Uttarakhand, India; email: monikadhariwal9@gmail.com
Appears in Collections:Conference Publications [PH]

Files in This Item:
There are no files associated with this item.
Show full item record


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.