Abstract
We carry out DFT calculation to study electronic properties of rare-earth (RE) doped α-GaN. GGA approximation and ultrasoft pseudopotential used in this calculation. The bond length and tetrahedral angle of pristine α-GaN are slightly changed. The direct band gap of α-GaN was detected at 2.56 eV, this is 1 eV lower from experiment. Electronic structure measurement is also performed for RE doped GaN (RE = Pr, Eu, Er, Gd and Tm), which the configuration is Ga(1-x)NREx (x=0.125). The bond length of Ga-RE is vary from 2.12-2.23 Å. The impurity energy is found relative between conduction bands and valence bands of host materials.
| Original language | English |
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| Article number | 012027 |
| Journal | Journal of Physics: Conference Series |
| Volume | 877 |
| Issue number | 1 |
| DOIs | |
| Publication status | Published - 10 Aug 2017 |
| Externally published | Yes |
| Event | 1st International Conference on Energy Sciences, ICES 2016 - Bandung, Indonesia Duration: 25 Jul 2016 → 27 Jul 2016 |