Comments welcome via email: <a href="mailto:natalie@wfu.edu"> 
natalie@wfu.edu. </a><br><br>

<h4>
ELECTRONIC BAND STRUCTURES OF THE
SCHEELITE TUNGSTATES AND CONSEQUENCES FOR MATERIAL PROPERTIES</h4><br> N.
A. W. Holzwarth, Yaochun Zhang, and Richard Williams, invited paper
presented at the
<a href="http://www.roma1.infn.it/~pwo98/pwo98.html">
International Workshop on Tungstate Crystals</a>, S. Maria di
Galeria -- Roma, Oct. 12-14 (1998). <a href="./rome.pdf">rome.pdf</a> <p> 

We report the results of
electronic structure calculations for CaWO<sub>4</sub> and
PbWO<sub>4</sub> in the scheelite structure and of a hypothetical mixed
CaWO<sub>4</sub> - PbWO<sub>4</sub> crystal. The results give a
variational approximation to the gr ound-state electron densities of these
materials within the framework of density functional theory and help us
formulate a qualitative understanding of the bonding mechanisms.  In
addition, we report an approximate analysis of the optical dielectric
const ants and reflectivity of CaWO<sub>4</sub> and PbWO<sub>4</sub>.
 
 



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