Electronic structure and optical properties of Cd co-doped wurtizte GaN exposed from first principles study

• Published in: Results in physics 2019-06, Vol.13, p.102330, Article 102330
• Main Author: Eisa, M.H.
• Format: Article
• Language: English
• Subjects: Cd-doped; Electronic structure; GaN; Optical properties; Semiconductor
• ISSN: 2211-3797; 2211-3797
• DOI: 10.1016/j.rinp.2019.102330

•The Cd-doped and undoped GaN are investigated.•The differences of optical properties and electronic structure are discussed.•The result reveals that the band-gap was narrower.•The absorption edge is red-shifted with the increase in Cd-doped concentration. We have diligently studied the impact of cadmium (Cd) co-doping on electronic structure, the thickness of states and optical properties of wurtzite gallium nitride (GaN) inside the casing work of first rule thickness useful hypothesis (density functional theory (DFT)). From the electronic structure of single and twofold Cd-doped GaN, it is discovered that Cd-doped GaN is a run of the mill coordinate band hole semiconductor. Be that as it may, d orbitals of Cd are powerful hybridized with the p orbitals of N close to the Fermi level, bringing about p and d charge exchange among Cd and N molecules. This offer ascent to the intersection from a semi-metal to whole metal when a solitary and double of Cd dopant actualized. Besides, we likewise ascertained the optical properties of GaN semiconductor, for example, retention coefficient, reflectivity, and refractive list, which are broke down, and contrasted and those of Cd co-doped GaN. The enhanced electronic band and optical properties of Cd co-doped GaN upgraded the future utilization of optoelectronic gadgets for such sort of materials.