Journal
PHYSICA B-CONDENSED MATTER
Volume 407, Issue 8, Pages 1227-1231Publisher
ELSEVIER
DOI: 10.1016/j.physb.2012.01.107
Keywords
P-type beta-Ga2O3; Co-doped beta-Ga2O3; First-principles; Electronic band structure; Optical properties
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Funding
- National Natural Science Foundation of China [10974077]
- Natural Science Foundation of Shandong Province, China [2009ZRB01702]
- Shandong Province Higher Educational Science and Technology Program [J10LA08]
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The electronic structure and optical properties of N-doped beta-Ga2O3 and N-Zn co-doped beta-Ga2O3 are investigated by the first-principles calculation. In the N-Zn co-doped beta-Ga2O3 system, the lattice parameters of a, b, c, V decrease and the formation energy of N-Zn co-doped beta-Ga2O3 is smaller in comparison with N-doped beta-Ga2O3. There are two shallower acceptor impurity levels in N-Zn co-doped beta-Ga2O3. Comparing with N-doped beta-Ga2O3, the major absorption peak is red-shifted and the impurity absorption edge is blue-shifted for N-Zn co-doped beta-Ga2O3. The results show that the N-Zn co-doped beta-Ga2O3 is found to be a better method to push p-type conductivity in beta-Ga2O3. (C) 2012 Elsevier B.V. All rights reserved.
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