Makale Koleksiyonu: Recent submissions

Now showing items 321-340 of 435

Structural and electronic properties of Ga1-xInxAs1-yNy quaternary semiconductor alloy on GaAs substrate

Aslan, Metin; Üstündağ, Mehmet; Yalçın, Battal Gazi (ELSEVIER SCIENCE SA, 2012)

We have presented structural and electronic properties of binary (GaAs, GaN and InAs), ternary (Ga1-xInxAs and GaAs1-yNy) and quaternary (Ga1-xInxAs1-yNy) semiconductor alloys by using a first-principles pseudopotential ...
Electrons, phonons and superconductivity in rocksalt and tungsten-carbide phases of CrC

Tütüncü, Hüseyin Murat; Bağcı, Sadık; Akbulut Uludağ, Ahsen (IOP PUBLISHING LTD, 2012)

We present results of ab initio theoretical investigations of the electronic structure, phonon dispersion relations, electron-phonon interaction and superconductivity in the rocksalt and tungsten-carbide phases of CrC. It ...
Ab initio investigations of phonons and superconductivity in the cubic Laves structures LaAl2 and YAl2

Duman, Sıtkı; Tütüncü, Hüseyin Murat (AMER INST PHYSICS, 2012)

We have performed an ab initio study of structural, elastic, electronic, lattice-dynamical, and electron-phonon interaction properties of the cubic Laves structures LaAl2 and YAl2. The calculations have been carried out ...
Estimation of the Most Probable Muon Energy at Sea Level Using Two-Paddle Cosmic Ray Detectors

Bektaşoğlu, Mehmet; Tonguç, Barış Tamer (SPRINGER HEIDELBERG, 2012)

We present a measurement of the most probable cosmic muon energy at near sea level using a two-paddle cosmic ray detector. Muon rates at two different elevations (27 and 326 m) were measured. Data were collected for 2-3 h ...
Energy Levels and Electric Dipole Transitions for Neutral Actinium (Z=89)

Ürer, Güldem; Özdemir, Leyla (SPRINGER HEIDELBERG, 2012)

We have reported a relativistic multiconfiguration Dirac-Fock calculation including Breit and quantum electrodynamic contributions on the level structure of atomic actinium, Ac I (Z = 89). The computations have been carried ...
Inhomogeneous Quantum Invariance Group of Multi-Dimensional Multi-parameter Deformed Boson Algebra

Arıkan, Ali Serdar; Dil, Emre (IOP PUBLISHING LTD, 2012)

We investigate the inhomogeneous invariance quantum group of the d-dimensional d-parameter deformed boson algebra. It is found that the homogeneous part of this quantum group is given by the d-parameter deformed general ...
Surface phonons on the NbC(001) and TaC(001) surfaces

Bağcı, Sadık; Tütüncü, Hüseyin Murat; Duman, Sıtkı (AMER PHYSICAL SOC, 2012)

Structural, electronic, and vibrational properties of NbC(001) and TaC(001) are presented, based on the application of plane-wave basis, pseudopotentials, and the generalized gradient approximation of the density functional ...
The dependence of the scissors mode on the deformation in the Ce140-150 isotopes

Guliyev, Ali (IOP PUBLISHING LTD, 2002)

In this study, using a rotational invariant microscopic model which is free from any adjustable parameter in the random phase approximation, the total M1 transition intensities of the 1(+) levels arising from the scissors ...
Vibrational properties of Ge- and Sb-adsorbed Si(001) surfaces

Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 1998)

We report on vibrational properties obtained within the adiabatic bond-charge model for (2x1) reconstructed monolayer Ge- and Sb-adsorbed Si(001) surfaces. The phonon spectra of these surfaces are compared in detail with ...
Spectroscopic characterization, X-ray structure, antimicrobial activity and DFT calculations of novel dipicolinate copper(II) complex with 2,6-pyridinedimethanol

Tamer, Ömer; Bünyamin Sarıboğa; İbrahim Uçar; Orhan Büyükgüngör (PERGAMON-ELSEVIER SCIENCE LTD, 2011)

Novel dipicolinate complex of copper(II) ion, [Cu(dmp)(dpc)]center dot 0.8H(2)O [dmp: 2,6-pyridinedimethanol; dpc: dipicolinate or pyridine-2,6-dicarboxylate], has been prepared and fully characterized by single crystal ...
A combined crystallographic, spectroscopic, antimicrobial, and computational study of novel dipicolinate copper(II) complex with 2-(2-hydroxyethyl)pyridine

Tamer, Ömer; Bahtiyar Sariboga; Ibrahim Ucar (SPRINGER/PLENUM PUBLISHERS, 2012)

Novel dipicolinate complex of copper(II) ion, [Cu(hepy)(dpc)H2O] [hepy: 2-(2-hydroxyethyl)pyridine; dpc: dipicolinate or pyridine-2,6-dicarboxylate], was prepared and fully characterized by single crystal X-ray structure ...
Overlapping large polaron tunneling conductivity and giant dielectric constant in Ni0.5Zn0.5Fe1.5Cr0.5O4 nanoparticles (NPs)

Şentürk, Erdoğan (ELSEVIER SCIENCE SA, 2011)

We report an orderly study on the structural and dielectric properties of Ni0.5Zn0.5Cr0.5Fe1.5O4 nanoparticles (NPs) synthesized by a polyethylene glycol (PEG)-assisted hydrothermal technique. XRD, FT-IR, FE-SEM and EDX ...
Electron-impact excitation of the (2p(2)) D-1 and (2s2p) P-1(o) autoionizing states of helium

Doğan, Metin; Okur, İbrahim (AMER PHYSICAL SOC, 2011)

An experimental study of the excitation of the (2p(2)) D-1 and (2s2p) P-1(o) autoionizing states of helium by 250-eV electron impact is presented. The ejected-electron angular distributions and energy spectra are measured ...
Theoretical studies on molecular structure and vibrational spectra of 8-hydroxyquinolinium picrate

Başoğlu, Adil; Avcı, Davut; Atalay, Yusuf; Çelik, Fikret (PERGAMON-ELSEVIER SCIENCE LTD, 2011)

Quantum chemical calculations of geometrical structure and vibrational wavenumbers of 8-hydroxyquinolinium picrate (8-HQP) were carried out by ab initio HF and density functional (DFT/B3LYP) method with 6-31++G(dp) basis ...
Energies, Land, g-factors, and lifetimes for some excited levels of doubly ionized lanthanum

Usta, Betül; Özdemir, Leyla (VERSITA, 2012)

Using the relativistic Hartree-Fock (HFR) method developed by Cowan, we calculated the energy levels, Land, g-factors, and lifetimes for nd (n = 5-25), ns (n = 6-24), ng (n = 5-25), nf (n = 4-22), and np (n = 6-25) excited ...
Electric Dipole Transitions for Lu I (Z=71)

Usta, Betül; Özdemir, Leyla (SPRINGER HEIDELBERG, 2011)

The aim of this study was to obtain a description of the neutral lutetium spectrum. We calculated the radiative parameters (wavelengths, weighted oscillator strengths and transition probabilities) for electric dipole (E1) ...
DFT Calculations on the Molecular Structure, Vibrational and Chemical Shift Assignments of 4-Allyl-2-(morpholin-4-ylmethyl)-5-(pyridin-4-yl)-2, 4-Dihydro-3H-1,2,4-Triazole-3-Thione

Avcı, Davut; Atalay, Yusuf; Cömert, Hüseyin (SPRINGER HEIDELBERG, 2011)

The molecular geometry, vibrational frequencies, gauge including atomic orbital (GIAO) H-1 and C-13 chemical shift values and several thermodynamic parameters of 4-allyl-2-(morpholin-4-ylmethyl)-5-(pyridin-4-yl)-2,4-dihy ...
An infrared spectroscopic study on a divalent metal salt of p-aminobenzoic acid [ABA(Mg)] tetracyanonickelate

Atalay, Yusuf; Okur, İbrahim; Demir, Zafer (MARCEL DEKKER INC, 2002)

Infrared spectra of MLNi (CN)(4) [M=Mn, Fe, Co, Ni, Zn or Cd and L= Divalent metal of p-Aminobenzoic Acid or ABA (Mg)] are reported. Their structure consists of polymeric layers of [M-Ni(CN)(4)](a) with the divalent metal ...
The level structure of atomic lutetium (Z=71): a relativistic Hartree-Fock calculation

Usta, Betül; Özdemir, Leyla (INDIAN ASSOC CULTIVATION SCIENCE, 2011)

We have calculated relativistic energies, Land, factors and lifetimes for 5d6s (2), 5d (2)6s, 6s (2) ns (n = 7-14), 6s (2) nd (n = 6-25), 6s (2) ng (n = 5-7), 6s (2) np (n = 6-25), 5d6s6p and 6s (2) nf (n = 5-23) excited ...
Effects of Different Basis Sets and Donor-Acceptor Groups on Linear and Second-Order Nonlinear Optical Properties and Molecular Frontier Orbital Energies

Avcı, Davut; Başoğlu, Adil; Atalay, Yusuf (WILEY-BLACKWELL, 2011)

The calculation of molecular hyperpolarizability, molecular frontier orbital energies of some donor-acceptor oxadiazoles (5a-f, 8a-f, and 9a-f) have been investigated using ab initio methods and different basis sets. Ab ...