Article ID Journal Published Year Pages File Type
1561570 Computational Materials Science 2012 8 Pages PDF
Abstract
► The electronic structure and elastic properties of TiB2 and ZrB2 are investigated. ► The calculated values are found to be in good agreement with earlier investigations. ► The directional and spherically averaged Compton profiles of ZrB2 are computed. ► The experimental Compton profile of ZrB2 is measured and compared with LCAO values.
Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
Authors
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