DSpace Home
→
Fakülteler / Faculties
→
Fen-Edebiyat Fakültesi
→
Fizik / Physics
→
Browsing Fizik / Physics by Subject

Browsing Fizik / Physics by Subject "Physics"

Now showing items 1-20 of 228

A cobalt (II) complex with 6-methylpicolinate: Synthesis, characterization, second- and third-order nonlinear optical properties, and DFT calculations

Sumeyye Alturk; Avcı, Davut; Tamer, Ömer; Atalay, Yusuf; Onur Sahin (PERGAMON-ELSEVIER SCIENCE LTD, 2016)

A cobalt(II) complex of 6-methylpicolinic acid, [Co(6-Mepic)(2)(H2O)(2)]center dot 2H(2)O, was prepared and fully determined by single crystal X-ray crystal structure analysis as well as FT-IR, FT-Raman. UV-vis spectra ...
A comparative ab initio study of superconductivity in the body centered tetragonal YC2 and LaC2

Tütüncü, Hüseyin Murat; G. P. Srivastava (AMER INST PHYSICS, 2015)

Ab initio studies of the electronic band structure and phonon dispersion relations, using the planewave pseudopotential method and the density functional theory, have been made for the superconducting materials YC2 and ...
A comparative study of surface phonons on CdTe(110) and InSb(110)

Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE BV, 2001)

We have studied the lattice dynamics of the CdTe(110) and InSb(110) surfaces by using the adiabatic bond-charge model. The atomic geometry and electronic informations for the phonon calculations have been obtained by using ...
A heterocyclic compound 5-acetyl-2,4-dimethylthiazole, spectroscopic, natural bond orbital, nonlinear optical and molecular docking studies

Avcı, Davut; B. Dede; S. Bahceli; D. Varkal (SOC MEXICANA FISICA, 2019)

In this work, the 5-acetyl-2,4-dimethylthiazole (C7H9NSO) molecule was studied by using the experimental UV-vis (in three different solvents) and FT-IR spectral results, and theoretically using DFT calculation method. The ...
A special type of neutron-proton pairing interaction and the moments of inertia of some deformed even-even nuclei in the rare earth region

Guliyev, Ali (IOP PUBLISHING LTD, 1998)

In this work, the effect of a special type of neutron-proton pairing interaction on the moments of inertia of some deformed nuclei in the rare earth region is investigated. First, making a perturbative approximation, we ...
A theoretical investigation of the magnetic dipole moment of the ground- and excited-states below 600 keV in well-deformed W-183,W-185, Re-185,Re-187 and Os-187,Os-189

Tabar, Emre (WORLD SCIENTIFIC PUBL CO PTE LTD, 2019)

Magnetic dipole moments of the ground- and excited-states below 600 keV in W-183,W-185, Re-185,Re-187 and Os-187,Os-189 nuclei have been systematically studied in the framework of a microscopic Quasiparticle Phonon Nuclear ...
A Theoretical Study on N '-[(Z)-(4-Methylphenyl)Methylidene]-4-Nitrobenzohydrazide (NMPMN)

Muhammet Okur; Nazmiye Albayrak; Tamer, Ömer; Avcı, Davut; Atalay, Yusuf (SPRINGER, 2018)

Quantum mechanical calculations of ground state energy, vibration wavenumbers, and electronic absorption wavelengths of N '-[(Z)-(4-methylphenyl)methylidene]-4-nitrobenzohydrazide with C15H13N3O3 empirical formula was ...
A theoretical study on structural, spectroscopic, electronic and electric properties of 4-chloro 4-nitrostilbene

Tamer, Ömer; Avcı, Davut; C. Arioglu; A. Basoslu; Atalay, Yusuf (INDIAN ASSOC CULTIVATION SCIENCE, 2015)

Organic crystals based on the donor and acceptor conjugated system display excellent nonlinear optical properties. In this study, nonlinear optical single crystal 4-chloro 4-nitrostilbene has been modeled on the basis of ...
A Theoretical Study on Structural, Spectroscopic, Electronic and Nonlinear Optical Properties of 1-[(E)-{[4-(Morpholin-4-Yl)Phenyl]Imino}Methyl]Naphthalen-2-Ol

Hacer Pir Gumus; Tamer, Ömer; Avcı, Davut; Atalay, Yusuf; Erdogan Tarcan (SPRINGER, 2016)

Density functional theory calculations on ground state molecular geometry, stable conformers, and vibrational wavenumbers for 1-[(E)-{[4-(morpholin-4-yl)phenyl]imino}methyl]naphthalen-2-ol (MPIMN) molecule were performed ...
A theoretical study on the ground and low-energy magnetic dipole characteristics of Pu-239 nucleus

Tabar, Emre (ELSEVIER SCIENCE BV, 2019)

A microscopic model analysis of the magnetic dipole (M1) properties of Pu-239 nucleus, which is a fissile material not only used in nuclear weapons but also used in some nuclear reactors as a source of energy, has been ...
Ab initio calculation of phonons for bulk TiC and TiC(001)(1X1)

Bağcı, Sadık; Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2009)

We present an ab initio pseudopotential study, within the local density functional approximation, of the structural and elastic properties of rock-salt TiC. The calculated structural and elastic properties of TiC are in ...
Ab initio calculation of the ground-state properties of COSi2

Tütüncü, Hüseyin Murat; Duman, Sıtkı (IOP PUBLISHING LTD, 2005)

We have investigated the structural and electronic properties of CoSi2 by using a generalized gradient approximation of the density functional theory and ab initio pseudopotentials. The calculated lattice constant and ...
Ab initio calculation of the molecular structure and vibration frequencies of carbonate ions coordinated to calcium ions in the zeolite CaA by Hartree-Fock methods

Atalay, Yusuf (WALTER DE GRUYTER GMBH, 2005)

The molecular structures and vibration frequencies of unidentate and bidentate coordinations of carbonate ions to calcium ions in the zeolite CaA have been investigated, using the Hartree-Fock method implementing 6-31 G ...
Ab initio calculation of the structural and dynamical properties of the zinc-blende BN and its (110) surface

Bağcı, Sadık; Duman, Sıtkı; Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE SA, 2006)

Using a first-principles pseudopotential technique, we have presented static and dynamical properties of cubic-BN. The calculated values for the lattice constant, bulk modulus, its first derivative and optical dielectric ...
Ab initio calculations and dynamical properties of the Se : InP(110) and Te : InP(110)

Tütüncü, Hüseyin Murat; Güney, Yılmaz (ELSEVIER SCIENCE BV, 2006)

We present results of ab initio theoretical investigations of the structural and dynamical properties of the Se:InP(110) and Te:InP(110) surfaces, by employing the plane wave pseudopotential method, the local density ...
Ab initio calculations of phonon dispersion relations for bulk and (110) surface of cubic InN

Bağcı, Sadık; Duman, Sıtkı; Tütüncü, Hüseyin Murat (PERGAMON-ELSEVIER SCIENCE LTD, 2009)

The ground-state structural and dynamical properties of cubic InN and its (110) surface are calculated using density functional theory within the generalised gradient approximation. A detailed discussion is provided for ...
Ab initio calculations of structural, electronic and dynamical properties of BeSe(110) surface

Bağcı, Sadık; Tütüncü, Hüseyin Murat (ELSEVIER SCIENCE BV, 2007)

We use an ab initio pseudopotential method within the local-density approximation to determine the structural and electronic properties of the BeSe(1 1 0) surface. The relaxed geometry of this surface shows tilted cation-anion ...
Ab initio calculations of surface phonons of the hydrogen-terminated Si(110)-(1 x 1) surface

Tütüncü, Hüseyin Murat; Karaca, Ertuğrul; G. P. Srivastava (ELSEVIER SCIENCE BV, 2016)

A first-principles study, using a linear-response approach based on the pseudopotential method and the generalised gradient approximation, has been made to examine the phonon spectrum of the hydrogen-terminated Si(110)-(1 ...
Ab initio investigation of BCS-type superconductivity in LuNi2B2C-type superconductors

Tütüncü, Hüseyin Murat; Uzunok, Hüseyin Yasin; Karaca, Ertuğrul; G. P. Srivastava; S. Ozer; S. Ugur (AMER PHYSICAL SOC, 2015)

Ab initio pseudopotential calculations have been made to calculate the structural, electronic, vibrational, and superconducting properties of the borocarbide superconductors RM2B2C (R = Lu, La, Y; M = Ni,Pd,Pt). Using the ...
Ab initio investigation of superconductivity in noncentrosymmetric Ca3Ir4Ge4

Tütüncü, Hüseyin Murat; G. P. Srivastava (TAYLOR & FRANCIS LTD, 2015)

K is obtained, in good agreement with a recent experimental study.