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Details for article 11 of 41 found articles
| Title: |
ELECTRONIC STRUCTURE OF RELAXOR PMN |
| Author: |
Yang, K. Wang, C. L. Li, J. C. |
| Appeared in: |
Integrated ferroelectrics |
| Paging: | Volume 78 (2006) nr. 1 pages 113-117 |
| Year: |
2006-11-01 |
| Contents: |
We perform density functional theory method to study the electronic structure of relaxor ferroelectrics Pb(Mg1/3Nb2/3)O3. An ordered perovskite structure based supercell was examined with the B sites Nb-Mg-Nb stacking along the [001] direction. Band structure, density of states and electron density have been obtained. The calculated band gap is a direct one with the value of 1.05 eV. It is found that the Mg-O bond presents no covalency, whereas there is a considerable Nb-O covalent bonding. The different B-O bonding characters might be responsible for the relaxor properties of Pb(Mg1/3Nb2/3)O3 crystal. |
| Publisher: |
Taylor & Francis |
| Source file: |
Elektronische Wetenschappelijke Tijdschriften |
Details for article 11 of 41 found articles
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