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Mechanically stiffened and thermally softened bulk modulus of BaXO3(X=Ti,Zr,Nb) cubic perovskites
- Source :
- Journal of Applied Physics. 109:033511
- Publication Year :
- 2011
- Publisher :
- AIP Publishing, 2011.
-
Abstract
- Although the physics behind the bulk modulus, B(T,P), as a function of temperature (T) and pressure (P), has been intensively investigated, an atomic scale understanding of this attribute remains a high challenge. Here, we show that the B(T,P) for BaXO3 (X=Ti,Zr,Nb) can be established by connecting the B directly to the bond length and bond energy and their response to the applied T and P in the form of binding energy density, B[E/d3(T,P)]. Besides an estimation of the Debye temperature and single bond energy, outcomes clarified that the thermally softened B arises from bond expansion and bond weakening due to lattice vibration and the mechanically stiffened B results from bond compression and bond strengthening due to mechanical work hardening.
Details
- ISSN :
- 10897550 and 00218979
- Volume :
- 109
- Database :
- OpenAIRE
- Journal :
- Journal of Applied Physics
- Accession number :
- edsair.doi...........e38370d420b50dbaedd113d2d15565b9
- Full Text :
- https://doi.org/10.1063/1.3544042