437 citations · 836 across the 6 of their papers we have counts for
6 papers
Pentagonal nanowires: a first-principles study of atomic and electronic structure
Prasenjit Sen, O. Gulseren, T. Yildirim +2
We performed an extensive first-principles study of nanowires in various pentagonal structures by using pseudopotential plane wave method within the density functional theory. Our…
Reversible Band Gap Engineering in Carbon Nanotubes by Radial Deformation
O. Gulseren, T. Yildirim, S. Ciraci +1
We present a systematic analysis of the effect of radial deformation on the atomic and electronic structure of zigzag and armchair single wall carbon nanotubes using the first prin…
Giant anharmonicity and non-linear electron-phonon coupling in MgB; A combined first-principles calculations and neutron scattering study
T. Yildirim, O. Gulseren, J. W. Lynn +12
We report first-principles calculations of the electronic band structure and lattice dynamics for the new superconductor MgB. The excellent agreement between theory and our i…
Variable and reversible quantum structures on a single carbon nanotube
C. Kilic, S. Ciraci, O. Gulseren +1
The band gap of a semiconducting single wall carbon nanotube decreases and eventually vanishes leading to metalization as a result of increasing radial deformation. This sets in a…
Pressure-Induced Interlinking of Carbon Nanotubes
T. Yildirim, O. Gulseren, C. Kilic +1
We predict new forms of carbon consisting of one and two dimensional networks of interlinked single wall carbon nanotubes, some of which are energetically more stable than van der…
Accuracy of equation of state formulations
Ronald E. Cohen, Oguz Gülseren, Russell J. Hemley
The accuracy of equation-of-state formulations is compared for theoretical total energies or experimental pressure-volume measurements for H, Ne, Pt, and Ta. This spans the e…