Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1502231 | Scripta Materialia | 2008 | 4 Pages |
Abstract
The full-potential linearized augmented plane wave method with a generalized gradient approximation for the exchange-correlation potential has been applied to predict the elastic properties of quaternary oxypnictides LaOFePn (Pn = As and P) as the basic phases for the newly discovered 26–52 K superconductors. The optimized lattice parameters, independent elastic constants (Cij), bulk moduli, compressibility and shear moduli are evaluated and discussed. Numerical estimates of the elastic parameters of the polycrystalline LaOFePn ceramics are performed for the first time.
Keywords
Related Topics
Physical Sciences and Engineering
Materials Science
Ceramics and Composites
Authors
I.R. Shein, A.L. Ivanovskii,