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- T Yildirim, O Gülseren, +12 authors R J Cava
- Physical review letters
- 2001

First-principles calculations of the electronic band structure and lattice dynamics for the new superconductor MgB (2) are carried out and found to be in excellent agreement with our inelastic neutron scattering measurements. The numerical results reveal that the E(2g) in-plane boron phonons near the zone center are very anharmonic and strongly coupled to… (More)

- O Gülseren, F Ercolessi, E Tosatti
- 1995

Recent work has raised considerable interest on the nature of thin metallic wires. We have investigated the melting behavior of thin cylindrical Pb wires with the axis along a (110) direction, using molecular dynamics and a well-tested many-body potential. We find that—in analogy with cluster melting— the melting temperature T m (R) of a wire with radius R… (More)

- O Gülseren, T Yildirim, S Ciraci
- Physical review letters
- 2001

We investigated the adsorption of a single atom, hydrogen and aluminum, on single-wall carbon nanotubes from first principles. The adsorption is exothermic, and the associated binding energy varies inversely as the radius of the zigzag tube. We found that the adsorption of a single atom and related properties can be modified continuously and reversibly by… (More)

- O. Gülseren, R. E. Cohen
- 2001

We have investigated the thermoelasticity of body-centered-cubic ͑bcc͒ tantalum from first principles by using the linearized augmented plane wave and mixed-basis pseudopotential methods for pressures up to 400 GPa and temperatures up to 10 000 K. Electronic excitation contributions to the free energy were included from the band structures, and phonon… (More)

- S İslamoğlu, M Ö Oktel, O Gülseren
- Journal of physics. Condensed matter : an…
- 2013

We investigate the Hall conductance of graphene with point defects within the Kubo formalism, which allows us to calculate the Hall conductance without constraining the Fermi energy to lie in a gap. For pure graphene, which we model using a tight-binding Hamiltonian, we recover both the usual and the anomalous integer quantum Hall effects depending on the… (More)

- A Yildiz, U Akinci, O Gülseren, I Sökmen
- Journal of physics. Condensed matter : an…
- 2009

We have performed a systematic study of the ground state properties of the zinc-blende, rock-salt, tetragonal, cuprite, fluorite and pyrite phases of platinum nitride by using the plane wave pseudopotential calculations within the density functional theory. The equilibrium structural parameters and bulk moduli are computed within both the local density… (More)

- S Islamoğlu, M O Oktel, O Gülseren
- Journal of physics. Condensed matter : an…
- 2012

The electronic properties of a square lattice under an applied perpendicular magnetic field in the presence of impurities or vacancies are investigated by the tight-binding method including up to second nearest neighbor interactions. These imperfections result in new gaps and bands in the Hofstadter butterfly even when the second order interactions break… (More)

- D Cakır, O Gülseren
- Journal of physics. Condensed matter : an…
- 2012

We have systematically investigated the growth behavior and stability of small stoichiometric (TiO(2))(n) (n = 1-10) clusters as well as their structural, electronic and magnetic properties by using the first-principles plane wave pseudopotential method within density functional theory. In order to find out the ground state geometries, a large number of… (More)

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