Browsing Bildiri ve Sunum Koleksiyonu by Title
Now showing items 1-20 of 36
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Ab initio study of structural and mechanical properties of two dimensional Mo2ScC2
(WITAM-2018, 2018)"MXene", a new class of two dimensional materials, has attracted considerable research interest due to its outstanding physical properties as well as promising technological applications. In this work, the structural, and ... -
Atomic and electronic structures of the group-IV elements on Si(111)-(root 3x root 3) surface
(Publishing Ltd, 2008)We have examined the Si(111) surface with 1/3 monolayer of group-IV elements within the abinitio density functional theory We have considered two possible threefold-c oordinated sites for the atom adsorption: (i) H-3 site ... -
Atomic and electronic structures of the group-IV elements on Si(111)-(root 3x root 3) surface
(IOP Publishing, 2008)We have examined the Si(111) surface with 1/3 monolayer of group-IV elements within the ab initio density functional theory. We have considered two possible threefoldcoordinated sites for the atom adsorption: (i) H3 site ... -
BaGe3 Bileşiğinin Mekanik ve Titreşimsel Özellikleri: Ab-initio Çalışması
(Adnan MenderesÜniversitesi, 2018)Bu çalışmada tetragonal yapıda (I4/mmm, No. 139) kristalize olduğu bilinen BaGe3 bileşiğinin yapısal, mekanik ve titreşimsel özellikleri VASP paket programı ile DFT kullanılarak hesaplandı. Hesaplamalarda elektron iyon ... -
CaGe3 Bileşiğinin Mekanik ve Elektronik Özelliklerinin Yoğunluk Fonksiyonel Teorisi ile İncelenmesi
(İzmir Yüksek Teknoloji Enstitüsü, 2018)Bu çalışmada tetragonal yapıda (I4/mmm, No. 139) kristalize olduğu bilinen CaGe3 bileşiğinin yapısal, mekanik ve elektronik özellikleri VASP paket programında Yoğunluk Fonksiyonel Teorisi (DFT) kullanılarak hesaplandı. ... -
Calculation of (n,alpha) reaction cross sections by using some Skyrme force parameters for Potassium (K-41) target nuclei
(E D P Sciences, 2017)In this study, the (n, alpha) nuclear reaction cross section was calculated for K-41 target nuclei for neutron and proton density parameters using SKa, SKb, SLy5, and SLy6 Skyrme force. Theoretical cross section for the ... -
Calculation of electronic properties of multilayer graphene with Monte Carlo method
(American Institute Physics, 2016)In this study, the electronic transport properties of bilayer graphene is investigated by an ensemble Monte Carlo method. The bilayer graphene has a quadratic energy dependence on wave vector near the points known as Dirac ... -
Computation of energy states of hydrogenic quantum dot with two-electrons
(American Institute Physics, 2016)In this study we have investigated the electronic structure of the hydrogenic quantum dot with two electrons inside an impenetrable potential surface. The energy eigenvalues and wavefunctions of the ground and excited ... -
A computational study of van der Waals tunnel transistors: Fundamental aspects and design challenges
(Institute of Electrical and Electronics Engineers Inc., 2015)We propose a model Hamiltonian for van der Waals tunnel transistors relying on a few physical parameters that we calibrate against DFT band structure calculations. This approach allowed us to develop a fully three-dimensional ... -
Conformational and vibrational studies of triclosan
(2009)The conformational equilibrium of triclosan (5-chloro-2-(2, 4-dichlorophenoxy) phenol) have been calculated using density functional theory (DFT/B3LYP/6-311++G(d, p)) method. Four different geometries were found to correspond ... -
Distinguishing single photonic transitions from the multiphotonic cases for (ns(2)S(1/2)) -> (n's(2)P(1/2)) -> (n's(2)S(1/2)) photonic transitions in hydrogen-like atoms
(Iop Publıshıng Ltd, 2012)We calculate the selection rules for (ns(2)S(1/2)) -> (n's(2)P(1/2)) -> (n's(2)S(1/2)) single photonic transitions in hydrogenlike atoms. We show that for the first part the reduced selection rules read: [Delta j = +/- 1 ... -
Dy3Sİ5N9O Bileşiğinin elastik anizotropisi ve elektronik özellikleri
(Adnan Menderes Üniversitesi, 2018)Henüz yeni yapılan bir çalışmada nadir toprak elementlerinin oksonitridosilikat RE3[Si5N9O] (RE=Dy- Er, Yb) bileşikleri sentezlenmiş ve ortorombik Pbcm (no: 57, Z=4) yapıda kristal oluşturdukları belirlenmiştir [1]. Bu ... -
Electromagnetic transition strengths in S-33
(IOP Publishing Ltd, 2014)An experiment using the Doppler Shift Attenuation Method was performed for S-33 at Laboratori Nazionali di Legnaro using the multi-detector array GASP. Excited states were populated in the fusion-evaporation reaction ... -
Entrance channel effect on incomplete fusion
(Jagellonian University, 2018)In the present work, the onset and strength of incomplete fusion were studied in terms of various entrance channel parameters. Excitation functions for individual evaporation residues were measured in the 12C+169Tm system ... -
The first principle study on the Holmium oxonitridosilicate Ho3Si5N9O Compound Mechanical and electronic properties
((WITAM-2018, 2018)We have used to ab-initio methods for determining the structural, electronic, and elastic properties for the Ho3Si5N9O compound in the orthorhombic Pbcm structure (Space Group No:57, Z=4). The DFT-PBE and PPPAW approaches ... -
The first principles structural study on the Barium Oxonitrido silicate BaSi4O6N2 compound
((WITAM-2018), 2018)By means of first principles calculations, we have studied the structural, electronic, elastic and anisotropy properties of the Barium Oxonitrido silicate (BaSi4O6N2) compounds. The recent study showed that it’s crystal ... -
First Principles Study of structural electronic and thermoelectric properties of Mo2ScAlC2
((WITAM-2018), 2018)In this study, the structural, electronic and thermoelectric properties of belong to MAX phase, Mo2ScAlC2 are investigated by within the framework of the density-functional theory (DFT) using the plane-wave pseudopotential ... -
A first principles study on the orthorhombic ScNiAl3
((WITAM-2018), 2018)We have used to ab-initio methods for determining the structural, electronic, and elastic properties for the ScNiAl3 compound in orthorhombic Pnma structure (Spg No:62). The pseudopotential plane-wave approach is used based ... -
Investigation of spherical and cylindrical catural Iridium targets by photonuclear reaction
(E D P Sciences, 2017)In this study, natural iridium consisting of Ir-191 and Ir-193 isotopes has been irradiated with 21 MeV photons. The distribution of photons, electrons and neutrons fluxes in the spherical and cylindrical natural iridium ...
