First - Principles Studies on Structural and Electronic Properties of ThN

Details First - Principles Studies on Structural and Electronic Properties of ThN First - Principles Studies on Structural and Electronic Properties of ThN

Apr 2007

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2007aipc..899..578a&link_type=abstract

SIXTH INTERNATIONAL CONFERENCE OF THE BALKAN PHYSICAL UNION. AIP Conference Proceedings, Volume 899, pp. 578-578 (2007).

Statistics

Computation

Computational Methodology, Density Functional Theory, Local Density Approximation, Gradient And Other Corrections, Elasticity, Elastic Constants

Scientific paper

We present an ab-initio study of the structural and electronic properties of ThN. The plane-wave pseudopotential approach to the density-functional theory within the generalized-gradient approximation implemented in VASP(Viena Ab-initio Simulation Package) is used. The calculated lattice parameter, elastic constants and band structures are compared with the available experimental and the other theoretical results, and good agreement is obtained.

Affiliated with

Also associated with

No associations

Rating

First - Principles Studies on Structural and Electronic Properties of ThN 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 First - Principles Studies on Structural and Electronic Properties of ThN, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and First - Principles Studies on Structural and Electronic Properties of ThN will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-1681252