Valence electron distribution in MgB2 studied by accurate diffraction measurements and first principle calculations

Details Valence electron distribution in MgB2 studied by accurate diffraction measurements and first principle calculations Valence electron distribution in MgB2 studied by accurate diffraction measurements and first principle calculations

2002-10-04

arxiv.org/abs/cond-mat/0210107v1

Physics

Condensed Matter

Superconductivity

Scientific paper

We use synchrotron x-ray and precision electron diffraction techniques to determine accurately the structure factors of selected reflections that are sensitive to the valence electron distribution in the superconductor MgB2. These values deviate significantly from calculated structure factors using the scattering factors of free atoms, but agree well with our calculated structure factors based on density functional theory. Having experimentally established the reliability of our firstprinciple calculated structure factors, we present electron density maps of the redistribution of the valence electrons that takes place when hypothetical free atoms of Mg and B in MgB2 interact to form the real crystal.

Affiliated with

Also associated with

No associations

Rating

Valence electron distribution in MgB2 studied by accurate diffraction measurements and first principle 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 Valence electron distribution in MgB2 studied by accurate diffraction measurements and first principle calculations, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Valence electron distribution in MgB2 studied by accurate diffraction measurements and first principle calculations will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-238243