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] |
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