Elastic Response of Copper Slabs to Biaxial Strain Studied by Density Functional Theory Calculation
Abstract
Nanomaterials have different elastic properties from that of bulk, as revealed by many experimental and theoretical investigations. The elastic energy of a biaxially strained material depends on both the magnitude and the direction of the applied biaxial strain. In application to thin homogeneously strained slabs, these results enable us to estimate the different response between the outmost layer and bulk layers. The Poisson ratio and elastic energy of copper slabs under biaxial strain in (111) and (001) direction are studied by density-functional theory calculations. For (111) models the biaxial Poisson ratios of outmost layers are 30% larger than that of the bulk, and for (001) models the changes is smaller, about 7%. It can be seen that the changes in biaxial Poisson ratios depends on the orientation and no dependence on thickness is observed.
- Publication:
-
Controllable Synthesis
- Pub Date:
- August 2012
- DOI:
- 10.1142/9789814407601_0011
- Bibcode:
- 2012cssp.conf...76W