Browsing by Keywords "Density functional theory (DFT)"
Now showing items 1-4 of 4
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First principles study of 2D gallium nitride and aluminium nitride in square-octagon structure
(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 ... -
Functionalization of group V monolayers and their compounds: alloying, doping and surface modification
(Bilkent University, 2020-12)There has been growing interest during the last decade in two-dimensional (2D) materials due to their important roles in various scientific and technological applications such as detectors, lasers and light emitting diodes. ... -
Structural and electronic properties of monolayer and multilayer gallium nitride crystals
(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
(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 ...
