Browsing Physics by Subject "density functional theory"

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d “Electronic and structural properties of Iron using density functional theory (QUANTUM ESPRESSO Thesis

Zeray Gebrehawariat; Menberu Mengesha; Nebiyu Gemechu; Habte Dulla (2018)

The electronic and structural properties of Iron (Fe) were investigated using density functional theory (QUANTUM ESPRESSO). Iron is the main ingredient used to make steel and the crystalline structure is body center cubic ...
Electronic and structural properties of aluminum with respect to density functional theory Thesis

Oman Kur (2017-06)

In this study the electronic and structural properties of Aluminum (Al) were investigated with respect to density functional theory by using Quantum Espresso Package.The local density approximation (LDA) and the generalized ...
“Electronic and structural properties of Iron using density functional theory (Quantum espresso) Thesis

Zeray Gebrehawariat (2018-06)

The electronic and structural properties of Iron (Fe) were investigated using density functional theory (QUANTUM ESPRESSO). Iron is the main ingredient used to make steel and the crystalline structure is body center cubic ...
First Principle Calculation of Al(100) surface using quantum espresso package Thesis

Adisu Garoma; Menberu Mengesha; Nebiyu Gemechu (2023)

In this thesis the first principle calculation of Aluminum surface(Al100) is investigated with density functional theory (DFT) using Quantum Espresso package. Our study is based on Density Functional Theory (DFT) with the ...
First principle calculation of Cadmium Telluride using density functional theory Thesis

Zewdu Choramo; Menberu Mengesha; Nebiyu Gemechu (2022-07)

CdTe is a wide band gap semiconductor belonging to group II-VI. It is commonly used in light emitting diodes (LED) and many optoelectronic devices fabrications. It is obvious that many body problems are complex and a ...
First Principle Calculation Of Gallium Nitride Using Quantum Espresso Package Thesis

Tamiru Shomore (2020-02)

Gallium Nitride is a wide band gap semiconductor belonging to group III-V. It is commonly used in light emitting diodes (LED) and many optoelectronic devices fabrications. However its electronic and structural properties ...
First principle calculation of the structural and electronic properties of cobalt using quantum espresso package Thesis

Tamiru garuma; Menberu mengesha; Nebiyu gemechu (2020-02)

In this thesis, the electronic structural properties of Cobalt (Co) was investigated with the density functional theory by using Quantum Espresso Package. The generalized gradient approximation (GGA) was used to compute ...
Structural And Electronic Properties Of Trisodium Antimonide With And With Out Considering Spin Orbit Coupling Thesis

Behailu, Mihiret; Dr. Menberu, Mengesha; Dr. Tolu, Biressa (2023-06)

Trisodium antimonide (Na3Sb) is a narrow band gap material and it is a binary compound crystallize in a hexagonal structure with the space group P 63/mmc. Since Na3Sb is the system with many electron it is a bit challenging ...

Browsing Physics by Subject "density functional theory"

Browsing Physics by Subject "density functional theory"

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