Browsing by Keywords "Density functional theory (DFT)"

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First principles study of 2D gallium nitride and aluminium nitride in square-octagon structure

Gürbüz, Emel (Bilkent University, 2017-08)

This thesis, deals with the planar free-standing, single-layer, square-octagon (SO) structures of GaN and AlN. We investigated single-layer and multilayer so-GaN and so-AlN structures, their stability, electronic properties ...
Structural and electronic properties of monolayer and multilayer gallium nitride crystals

Önen, Abdullatif (Bilkent University, 2016-09)

Three-dimensional (3D) Gallium Nitride (GaN) is a III-V compound semiconductor with direct band gap. It is widely used in light emitting diodes (LED) and has potential to be used numerous optoelectronic applications. In ...
Theoretical simulations of UV-Vis and UP spectra for conjugated systems

Alkan, Fahri (Bilkent University, 2009)

Due to their unique electro-optical properties, there has been a great deal of scientific interest in electronic structure of conjugated systems. In order to reveal the complete map of their electronic structure, several ...