Elastic and electronic properties of fluorite RuO<sub>2</sub> from first principle

Elastic and electronic properties of fluorite RuO<sub>2</sub> from first principle

The elastic, thermodynamic, and electronic properties of fluorite RuO<sub>2</sub> under high pressure are investigated by plane-wave pseudopotential density functional theory. The optimized lattice parameters, elastic constants, bulk modulus, and shear modulus are consistent with other t...

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Bibliographic Details
Main Authors: Z.J. Yang, A.M. Guo, Y.D. Guo, J. Li, Z. Wang, Q. Liu, R.F. Linghu, X.D. Yang
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2012-03-01
Series:Condensed Matter Physics
Subjects:
first principle
electronic structure
elasticity
thermodynamicity
Online Access:http://dx.doi.org/10.5488/CMP.15.13603

Internet

http://dx.doi.org/10.5488/CMP.15.13603

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