activity
19992009
most citedAb initio supercell calculations on nitrogen-vacancy center in diamond: its electronic structure and hyperfine tensors

303 citations · 731 across the 13 of their papers we have counts for

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Showing 2003Show all

2 papers · 1 filter

cond-mat.supr-con2003

Electron-phonon interaction in ultrasmall-radius carbon nanotubes

Ryan Barnett, Eugene Demler, Efthimios Kaxiras

We perform analysis of the band structure, phonon dispersion, and electron-phonon interactions in three types of small-radius carbon nanotubes. We find that the (5,5) can be descri…

cond-mat.mtrl-sci2003

Dinitrosyl formation as an intermediate stage of the reduction of NO in the presence of MoO_3

I. N. Remediakis, E. Kaxiras, M. Chen +1

We present first-principles calculations in the framework of density-functional theory and the pseudopotential approach, aiming to model the intermediate stages of the reduction of…