Thermodynamic stability of neutral Xe defects in diamond

Details Thermodynamic stability of neutral Xe defects in diamond Thermodynamic stability of neutral Xe defects in diamond

2012-01-24

arxiv.org/abs/1201.4900v1

Physical Review B 82:054102 (2010)

Physics

Condensed Matter

Materials Science

Scientific paper

10.1103/PhysRevB.82.054102

Optically active defect centers in diamond are of considerable interest, and ab initio calculations have provided valuable insight into the physics of these systems. Candidate structures for the Xe center in diamond, for which little structural information is known, are modeled using density functional theory. The relative thermodynamic stabilities were calculated for two likely structural arrangements. The split-vacancy structure is found to be the most stable for all temperatures up to 1500 K. A vibrational analysis was also carried out, predicting Raman- and IR-active modes which may aid in distinguishing between center structures.

Affiliated with

Also associated with

No associations

Rating

Thermodynamic stability of neutral Xe defects in diamond 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 Thermodynamic stability of neutral Xe defects in diamond, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Thermodynamic stability of neutral Xe defects in diamond will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-106454