2023
DOI: 10.61343/jcm.v1i01.3
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Ab-initio study of structural and electronic properties of Ga1-xScxN

Sahil Soni,
Dharamvir Singh Ahlawat

Abstract: In this work, we have calculated the structural and electronic properties of Sc doped GaN in different configurations. This study has been done using first principles full potential linearized argumented plane wave (FP-LAPW) method within the framework of Density Functional Theory. Here we used the generalized gradient approximation (GGA) of Perdew, Burke and Ernzerhof for exchange and correlation effects. Our results obtained for structural parameters and band structures are in good agreement with experimenta… Show more

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