This title appears in the Scientific Report :
2014
Please use the identifier:
http://dx.doi.org/10.1016/j.ssi.2014.01.017 in citations.
Molecular Dynamics Study on the Nsture of Ferroelasticity and Piezoconductivity of Lanthanum Cobalite
Molecular Dynamics Study on the Nsture of Ferroelasticity and Piezoconductivity of Lanthanum Cobalite
Lanthanum cobaltite systems are known to exhibit unique characteristics under mechanical stress such as ferroelasticity and piezoelasticity. In the present study, molecular dynamics simulation on LaCoO3 was performed to investigate the nature of these characteristics. Under uniaxial compression, the...
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Personal Name(s): | Araki, W. (Corresponding Author) |
---|---|
Malzbender, Jürgen / Arai, Y. | |
Contributing Institute: |
Werkstoffstruktur und -eigenschaften; IEK-2 |
Published in: | Solid state ionics, 262 (2014) S. 504-507 |
Imprint: |
Amsterdam [u.a.]
Elsevier Science
2014
|
DOI: |
10.1016/j.ssi.2014.01.017 |
Document Type: |
Journal Article |
Research Program: |
Power Plants |
Publikationsportal JuSER |
Lanthanum cobaltite systems are known to exhibit unique characteristics under mechanical stress such as ferroelasticity and piezoelasticity. In the present study, molecular dynamics simulation on LaCoO3 was performed to investigate the nature of these characteristics. Under uniaxial compression, the material can accommodate the highest stress in the <111>c direction, i.e., hexagonal c-axis, and this orientation preference is related to displacement of oxygen-ions due to rhombohedrally-distorted CoO6 octahedron. The elastic deformation before ferroelastic domain switching process, where domains are re-oriented to make the hexagonal c-axis parallel to the stress axis, could be attributed to a change in the Cosingle bondO bond length, whereas the elastic deformation after the switching process could be mostly due to the tilt of CoO6 octahedron. The general lattice deformation (Cosingle bondCo) proceeds continuously during the whole deformation process. The Cosingle bondOsingle bondCo bond angle shows a linear correlation to stress, which could be related to the piezoconductivity. |