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Mechanically stiffened and thermally softened bulk modulus of BaXO3(X=Ti,Zr,Nb) cubic perovskites

Authors :
J. Zhou
L. T. Li
X. H. Wang
X. J. Liu
Chang Q. Sun
Likun Pan
Z. Sun
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