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- O Gülseren, Tanner Yildirim, Salim 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)

- Tanner Yildirim, O Gülseren, +12 authors Robert Joseph 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)

- S Islamoğlu, Mehmet Özgür 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)

- 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)

- Deniz Çakır, 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)

- Abdulazim Yildiz, Umut Akinci, O Gülseren, Ismail 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)

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