Fizik / Physics: Recent submissions

Now showing items 401-420 of 446

Phonons on II-VI (110) semiconductor surfaces

Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2000)

We have studied the phonon dispersion and density-of-states on the (110) surface of LI-VT compounds CdTe, ZnTe, and ZnS in their zinc-blende phase by applying the adiabatic bond charge model. The relaxed surface atomic ...
Temperature dependency of impedance spectroscopy behaviors in side-chain liquid crystalline polymer

Şentürk, Erdoğan (ELSEVIER SCIENCE BV, 2009)

In this paper, the electrical properties of side-chain liquid crystalline polymer (SLCP) are investigated by impedance spectroscopy technique. We report the measurement of dielectric and conductivity for SLCP from 1 kHz ...
Ground state, phonon spectrum, and superconducting properties of the nonoxide perovskite CdCNi(3)

Bağcı, Sadık; Duman, Sıtkı; Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2008)

We have made theoretical investigations of the structural, elastic, electronic, lattice-dynamical, and superconducting properties of the antiperovskite compound CdCNi(3). The structural, elastic, and electronic properties ...
THE INHOMOGENEOUS QUANTUM INVARIANCE GROUP OF q-DEFORMED BOSON ALGEBRA

Arıkan, Ali Serdar (WORLD SCIENTIFIC PUBL CO PTE LTD, 2009)

We investigate the inhomogeneous invariance group of the q-deformed boson algebra. We find the R-matrix which gives the noncommuting structure of the quantum group with RM(1)M(2) = M(2)M(1)R relation.
Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-X-C6H4SO2NH2 (X = Cl, Br or F)

Çoruh, Ali (ELSEVIER SCIENCE BV, 2009)

In the present study, the structural properties of para-halogen benzenesulfonamides, 4-XC6H4SO2NH2 (4-chlorobenzenesulfonamicle (I). 4-bromobenzenesulfonamide (II) and 4-fluorobenzenesulfonamide (III)) have been studied ...
Structural, elastic, electronic, and phonon properties of zinc-blende and wurtzite BeO

Duman, Sıtkı; Bağcı, Sadık; Tütüncü, Hüseyin Murat (AMER INST PHYSICS, 2009)

The results of ab initio calculations of the structural, elastic, electronic, and phonon properties of BeO in both zinc-blende and wurtzite structures are presented. Our calculations are based on the application of plane-wave ...
N '-[(E)-Benzylidene]-1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carbohydrazide

Delibaş, Nagihan (INT UNION CRYSTALLOGRAPHY, 2009)

In the title compound, C19H18N4O2, the 1,8-naphthyridine ring system is essentially planar [r.m.s. deviation = 0.011 (3) angstrom]. The dihedral angle between the naphthyridine ring system and the phenyl ring is 28.95 ...
A Co(III) complex with a tridentate amine-imine-oxime ligand from 1,2,3,4-tetrahydroquinazoline: synthesis, crystal structure, spectroscopic and thermal characterization

Delibaş, Nagihan (TAYLOR & FRANCIS LTD, 2009)

A cobalt(III) complex [Co(L)2]Cl PPO H2O (1) (HL = 1-(2-aminobenzylimino)-1-phenyl-propan-2-one oxime, PPO = 1-phenyl-1,2-propanedione-2-oxime) has been synthesized and characterized by elemental analyses, spectral, thermal, ...
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 ...
Structural and Dielectrical Properties of MnO2-V2O5-SnO Mixed Oxides System at 1023 K

Atalay, Yusuf (WALTER DE GRUYTER & CO, 2008)

The different concentrations of the composites were prepared by mixing the 80 mass % of the base material MnO2 with 10 mass % V2O5 and 10 mass % SnO (sample A), and with 15 mass % V2O5 and 5 mass % SnO (sample 13), ...
Intrinsic g(K) factors of odd-mass Lu167-179 isotopes

Yakut, Hakan; Guliyev, Ali (INDIAN ACAD SCIENCES, 2009)

In this paper, g(K)-factors of the intrinsic magnetic moments and effective spin gyromagnetic factors (g(s)(eff)) of the Lu167-179 isotopes have been studied within the Tamm-Dancoff approximation (TDA) (Kuliev et al, Sov. ...
Phonons in zinc-blende and wurtzite phases of GaN, AlN, and BN with the adiabatic bond-charge model

Tütüncü, Hüseyin Murat (AMER PHYSICAL SOC, 2000)

The lattice dynamics of the zinc-blende and wurtzite phases of GaN, AlN, and BN is studied using the adiabatic bond-charge model. The resulting phonon spectra for zinc-blende GaN and AIN compare very well with ab initio ...
THEORETICAL STUDIES OF MOLECULAR STRUCTURE AND VIBRATIONAL SPECTRA OF THE ASYMMETRIC SQUARAINE [(2-DIMETHYLAMINO-4-ANILINO)SQUARAINE]

Avcı, Davut; Atalay, Yusuf (SPRINGER HEIDELBERG, 2009)

The molecular geometry and vibrational frequencies of asymmetric squaraine [(2-dimethylamino-4-anilino squarine)squaraine] (ADTCH3) in the ground state have been calculated using the Hartree-Fock (HF) and density functional ...
Dielectrical Properties of a Novel Porcelain Produced from Natural Clay, Waste Glass and Fly Ash

Toplan, Hüseyin Özkan; Atalay, Yusuf (WALTER DE GRUYTER GMBH, 2009)

A novel porcelain was obtained by sintering 50% kaolinite clay, 25% waste glass and 25% fly ash (a by-product of Turkey thermal power plant) at different temperatures of 1373-1523 K (1100-1250 degrees C). The microstructure ...
Molecular Structure, Vibrational Spectra and Chemical Shift Properties of C12H9ClO4 and C2H9BrO4 Crystals by Density Functional Theory and ab initio Hartree-Fock Calculations

Avcı, Davut; Atalay, Yusuf (WALTER DE GRUYTER GMBH, 2009)

The molecular geometry, vibrational spectra, and guage including atomic orbital (GIAO), individual gauges for atoms in molecules (IGAIM), and continuous set of guage transformations (CSTG) H-1 and C-13 chemical shift values ...
Rotational-invariant model of the states with K-pi=1(+) and their contribution to the scissors mode

Guliyev, Ali; Akkaya, Recep (WORLD SCIENTIFIC PUBL CO PTE LTD, 2000)

Within the Random-Phase Approximation the method of self-consistent determination of the isoscalar and isovector effective separable interactions restoring a broken symmetry of the deformed mean-field is given. The method ...
Electronic structure and zone-center phonon modes in multiferroic bulk BiFeO3

Tütüncü, Hüseyin Murat (AMER INST PHYSICS, 2008)

We present ab initio investigations of the electronic structure and zone-center phonon modes in bulk BiFeO3 with rhombohedral R3c symmetry. The electronic structure has been studied using the plane wave pseudopotential ...
GIAO calculations of chemical shifts in ethene-1,1,2,2-tetrayltetramethylene tetrathiocyanate

Atalay, Yusuf; Avcı, Davut (TAYLOR & FRANCIS INC, 2008)

Geometric optimization and gauge including atomic orbital (GIAO). (1)H and (13)C NMR chemical shift calculations with Hartree-Fock (HF) method and density functional method (B3LYP), using the 6-31G(d) and 6-31 + G(d) basis ...
Molecular structure, vibrational and chemical shift assignments of 8-hydroxy-1-methylquinolinium iodide hydrate by density functional theory (DFT) and ab initio Hartree-Fock (HF) calculations

Atalay, Yusuf; Avcı, Davut; Başoğlu, Adil (PERGAMON-ELSEVIER SCIENCE LTD, 2008)

The molecular geometry, the normal mode frequencies and corresponding vibrational assignments, (1)H and (13)C NMR chemical shift values of 8-hydroxy-1-methylquinolinium iodide monohydrate [(C(10)H(10)NO)(+)I(-)H(2)O] in ...
Molecular structure and vibrational and chemical shift assignments of 5-(2-Hydroxyphenyl)-4-(p-tolyl)-2,4-dihydro-1,2,4-triazole-3-thione by DFT and ab initio HF calculations

Avcı, Davut; Atalay, Yusuf (SPRINGER, 2008)

The molecular geometry, vibrational frequencies, gauge including atomic orbital (GIAO) (1)H and (13)C chemical shift values and several thermodynamic parameters of 5-(2-Hydroxyphenyl)-4-(p-tolyl)-2,4-dihydro-1,2,4-triazo ...