| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1616369 | Journal of Alloys and Compounds | 2012 | 6 Pages |
Abstract
⺠These compounds are characterized as narrow band gap semiconductors with a maximum gap (1.27 eV) for ZnGeAs2. ⺠A good agreement of band gaps with experiments is obtained within mBJLDA formalism. ⺠The band gap decreases with the substitution of either one or both cations in reference compound, ZnGeAs2. ⺠The ionic/covalent character for AAs/BAs bond has been described on the basis of electro-negativity difference of the atoms. ⺠The d-states of transition metal, Zn are localized deeper in valence band (E < 5 eV), showing no effective role to decide the magnitude of semiconducting band gap.
Related Topics
Physical Sciences and Engineering
Materials Science
Metals and Alloys
Authors
Hardev S. Saini, Mukhtiyar Singh, Ali H. Reshak, Manish K. Kashyap,