Structural and electronic properties of perovskite hydrides ACaH3 (A=Cs and Rb)
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...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Department of Physics, Mahendra Morang Adarsh Multiple Campus, Tribhuvan University
2015-12-01
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| Series: | Bibechana |
| Subjects: | |
| Online Access: | https://www.nepjol.info/index.php/BIBECHANA/article/view/13437 |