Citation
Choon, Min Cheong and Rahman, Md Mahmudur and Shaari, Abdul Halim and Soo, Kien Chen
(2016)
Charge distribution in YBa2Cu3O7 and YBa2Cu4O8 by density functional theory.
Materials Science Forum, 846 (3).
pp. 561-566.
ISSN 0255-5476; ESSN: 1662-9752
Abstract
In this work, we analyze the electronic structure and charge distribution of the YBCO family compounds Y-123 and Y-124 bulk using the density functional theory. The band structures and the density of states of the compounds are shown. The charge transfers between the atoms in the two compounds are compared and discussed in detail. The lattice parameters obtained by Broyden-Fletcher-Goldfarb-Shanno (BFGS) algorithm are compared with the experimental parameters. The critical differences of the charge distribution for these two compounds are discussed.
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Additional Metadata
| Item Type: | Article |
|---|---|
| Divisions: | Faculty of Science Institute of Advanced Technology |
| DOI Number: | https://doi.org/10.4028/www.scientific.net/MSF.846.561 |
| Publisher: | Trans Tech Publications |
| Keywords: | Band structure; Charge distribution; Charge reservoir; Cooper pair; Density functional theory; Density of state; Y-123; Y-124; YBCO |
| Depositing User: | Mohd Hafiz Che Mahasan |
| Date Deposited: | 15 Aug 2018 09:00 |
| Last Modified: | 15 Aug 2018 09:00 |
| Altmetrics: | http://www.altmetric.com/details.php?domain=psasir.upm.edu.my&doi=10.4028/www.scientific.net/MSF.846.561 |
| URI: | http://psasir.upm.edu.my/id/eprint/55275 |
| Statistic Details: | View Download Statistic |
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