A spin-polarised first principles study of short dangling bond wires on Si(001)

Details A spin-polarised first principles study of short dangling bond wires on Si(001) A spin-polarised first principles study of short dangling bond wires on Si(001)

2003-01-30

arxiv.org/abs/cond-mat/0301592v2

Physics

Condensed Matter

Materials Science

7 pages, 2 figures, 3 tables, submitted to Surf. Sci. Lett Changed in response to referee's comments

Scientific paper

10.1016/S0039-6028(03)00399-6

Short dangling bond wires (DB wires), fabricated on H-terminated Si(001) surfaces, show patterns of displacement that depend on their length. We have performed density function calculations, with and without spin-polarisation, designed to investigate the atomic and electronic structure of these wires. As expected, we find that even length wires are accurately modelled by non-spin polarised calculations, whilst odd length wires must be modelled using spin-polarised calculations. In particular, the use of spin-polarisation provides quantative agreement with STM observations, rather than the qualitative agreement reported elsewhere.

Affiliated with

Also associated with

No associations

Rating

A spin-polarised first principles study of short dangling bond wires on Si(001) does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with A spin-polarised first principles study of short dangling bond wires on Si(001), we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and A spin-polarised first principles study of short dangling bond wires on Si(001) will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-335728