Electronic properties of hexagonal tungsten monocarbide WC with 3d impurities from first-principles calculations

Details Electronic properties of hexagonal tungsten monocarbide WC with 3d impurities from first-principles calculations Electronic properties of hexagonal tungsten monocarbide WC with 3d impurities from first-principles calculations

2009-03-31

arxiv.org/abs/0903.5387v1

Physics

Condensed Matter

Materials Science

14 pages, 5 figures

Scientific paper

First principles FLAPW- GGA calculations have been performed to predict the structural, electronic, cohesive and magnetic properties for hexagonal WC doped with all 3d metals. The optimized lattice parameters, density of states, cohesive and formation energies have been obtained and analyzed for ternary solid solutions with nominal compositions W0.875M0.125C (where M = Sc, Ti, ..., Ni, Cu). In addition, the magnetic properties of these solid solutions have been examined, and magnetization has been established for W0.875Co0.125C.

Affiliated with

Also associated with

No associations

Rating

Electronic properties of hexagonal tungsten monocarbide WC with 3d impurities from first-principles calculations 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 Electronic properties of hexagonal tungsten monocarbide WC with 3d impurities from first-principles calculations, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Electronic properties of hexagonal tungsten monocarbide WC with 3d impurities from first-principles calculations will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-20132