4 papers
First-principles calculations of the dispersion of surface phonons of the unreconstructed and reconstructed Pt(110)
Sampyo Hong, Talat S. Rahman, Rolf Heid +1
We present result of calculations of the surface phonon dispersion curves for Pt(110) using density functional theory in the local density approximation and norm conserving pseudop…
Insights from calculated phonon dispersion curves for an overlayer of H on Pt(111)
Sampyo Hong, Talat S. Rahman, Rolf Heid +1
We have calculated the dispersion curves of H vibrational modes on Pt(111), using first-principles, total energy calculations based on a mixed-basis set and norm-conserving pseudop…
First-principles calculations of the phonon dispersion curves of H on Pt(111)
Sampyo Hong, Talat S. Rahman, Rolf Heid +1
We have calculated the surface phonon dispersion curves for H on Pt(111), using first-principles, total energy calculations based on a mixed-basis set and norm-conserving pseudopot…
Ab initio calculations of adsorbate-induced stress on Ni(100)
Sampyo Hong, Abdelkader Kara, Talat S. Rahman +2
We have calculated the surface stress induced on adsorption of c(2x2) overlayers of O and C, using first principles electronic structure calculations based on density functional th…