Identification of single-layer crystalline structures through their electronic and optical properties için kapak resmi
Identification of single-layer crystalline structures through their electronic and optical properties
Başlık:
Identification of single-layer crystalline structures through their electronic and optical properties
Yazar:
Sözen, Yiğit, author.
Yazar Ek Girişi:
Fiziksel Tanımlama:
xiii, 112 leaves: charts;+ 1 computer laser optical disc.
Özet:
A large number of two-dimensional (2D) van derWaals type materials have become a focus of interest in many scientific fields, ever since the thinnest carbon compound, graphene, takes to the stage with its exceptional electronic properties. The outstanding electronic behavior resulting from quantum size effects requires an investigation of the electronic and optical features of materials at the atomic scale. The understanding of such properties of matter within the framework of the theoretical approaches is the first step to shed light on the discovery of electronic and optoelectronic devices including brand new features. This thesis discusses the identification of electronic and optical properties of several types of atomically thin crystals, consisting of 2D and lead-free perovskite structures, by means of density functional theory (DFT). In the first study, primarily, the strong interaction mechanism between Ge atom and single-layer GaAs was studied starting from single atom adsorption to detached germanene layer formation. Following that dynamically stable metallic structures of Janus and alloy type GaGeAs crystals are discovered by performing one-sided and alternated decoration of GaAs single-layer with Ge atoms, respectively. In the second study, bulk and dynamically stable ultra-thin structures of lead-free CsMnCl3 are discussed. According to total energy and electronic band structure calculations, bulk, bilayer, and single-layer structures of CsMnCl3 are robust antiferromagnetic insulators. In third and fourth chapters are devoted to the identification of different stacking types of GaP/GaSe heterobilayers, and two different hexagonal phases of single-layer Germanium Oxide by means of electronic and optical characterization tools, respectively. In these studies, for the purpose of providing an accurate solution for the prediction of absorption, reflectance, and transmission spectra of materials, excitonic effects are considered by employing Bethe-Salpeter formalism following the G0W0 approximation. Wide range of atomically thin crystal structures studied within the framework of this thesis are verified to be promising candidates for the development of future nano-sized electronic and optoelectronic device applications thanks to their attractive electronic and optical properties arising from strong quantum confinement effects.
Yazar Ek Girişi:

Tek Biçim Eser Adı:
Thesis (Master)--İzmir Institute of Technology:Photonics Science and Engineering.

İzmir Institute of Technology: Photonics--Thesis (Master).
Elektronik Erişim:
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