Browsing Physics by Subject "total force"

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First Principle Calculations of Gallium Arsenide Using Density Functional Theory Thesis

Ajahib Ahmed (2018)

Density functional theory (DFT) has had a rapidly growing impact not only on fundamental but also industrial research. The local density approximation (LDA) and the generalized gradient approximation (GGA) were used to ...
Structural and Electronic properties of Zinc Oxide (ZnO) using Density Functional Theory with Hubbard Correction Thesis

Daniel Guchi Maliabe; Menberu Mengesha; Edobus M. (2022-01)

In this thesis the structural and electronic properties of hexagonal wurtizite zinc oxide (ZnO) is investigated with density functional theory (DFT)+U using Quantum Espresso package. Our study is based on Density Functional ...

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