Structural and electronic properties of perovskite hydrides ACaH3 (A=Cs and Rb)
| Dublin Core | PKP Metadata Items | Metadata for this Document | |
| 1. | Title | Title of document | Structural and electronic properties of perovskite hydrides ACaH3 (A=Cs and Rb) |
| 2. | Creator | Author's name, affiliation, country | S Lamichhane; Central Department of Physics, Tribhuvan University, Kathmandu; Nepal |
| 2. | Creator | Author's name, affiliation, country | B Aryal; Central Department of Physics, Tribhuvan University, Kathmandu; Nepal |
| 2. | Creator | Author's name, affiliation, country | GC Kaphle; Central Department of Physics, Tribhuvan University, Kathmandu, Nepal; Tri-Chandra Multiple Campus, Ghantaghar, Kathmandu, Nepal; Condensed Matter Physics Research Center, Butwal, Rupandehi; Nepal |
| 2. | Creator | Author's name, affiliation, country | NP Adhikari; Central Department of Physics, Tribhuvan University, Kathmandu; Nepal |
| 3. | Subject | Discipline(s) | Physics; Chemistry; Material Science, Engineering, Condensed matter Physics |
| 3. | Subject | Keyword(s) | Projected density of states; perovskite; charge density and TB-LMTO-ASA |
| 4. | Description | Abstract | We have performed structural properties, electronic properties, charge density and potential distribution of CsCaH3 and RbCaH3 using TB-LMTO-ASA approach under local density approximation. Our findings show that both CsCaH3 and RbCaH3 are non-magnetic and then insulators with estimated direct band gaps (M-M) of 3.15 eV and 3.17 eV respectively. Our estimated values of band gap suggest to both materials as better candidate for the high frequency ultra-violet devices. Furthermore, role of corner atoms in perovskite hydrides are also presented in this study. Present calculations agree well with the previous work. BIBECHANA 13 (2016) 94-99 |
| 5. | Publisher | Organizing agency, location | Birat Campus, Biratnagar, Nepal |
| 6. | Contributor | Sponsor(s) | |
| 7. | Date | (YYYY-MM-DD) | 2015-12-03 |
| 8. | Type | Status & genre | Peer-Reviewed Article |
| 8. | Type | Type | |
| 9. | Format | File format | |
| 10. | Identifier | Uniform Resource Identifier | https://www.nepjol.info/index.php/BIBECHANA/article/view/13437 |
| 10. | Identifier | Digital Object Identifier | http://dx.doi.org/10.3126/bibechana.v13i0.13437 |
| 11. | Source | Title; vol., no. (year) | BIBECHANA; Vol 13 (2016) |
| 12. | Language | English=en | en |
| 13. | Relation | Supp. Files | |
| 14. | Coverage | Geo-spatial location, chronological period, research sample (gender, age, etc.) | Global |
| 15. | Rights | Copyright and permissions |
Copyright (c) 2015 BIBECHANA |