Static structural properties of Mo and MoSi2
- 10 August 1988
- journal article
- Published by IOP Publishing in Journal of Physics C: Solid State Physics
- Vol. 21 (22) , L777-L781
- https://doi.org/10.1088/0022-3719/21/22/002
Abstract
The static structural properties of Mo and MoSi2 are studies using the linear muffin-tin orbital method. The Ewald correction to the Coulombic interaction between different Wigner-Seitz spheres is included in the total energy calculation. The results are compared with other theoretical calculations and experiments. The elastic constants of Mo are also calculated using the frozen-phonon method.Keywords
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