@article{10902/4175, year = {2006}, month = {3}, url = {http://hdl.handle.net/10902/4175}, abstract = {The size dependence of the ferroelectric properties of BaTiO 3 nanowires is studied from first principles. We show that the ferroelectric distortion along the wire axis disappears below a critical diameter of about 1.2nm . This disappearance is related to a global contraction of the unit cell resulting from low atomic coordinations at the wiresurface. It is shown that a ferroelectric distortion can be recovered under appropriate tensile strain conditions.}, publisher = {American Institute of Physics}, publisher = {Applied Physics Letters, vol. 88, iss. 11, art. num. 112906 (2006)}, title = {Finite-size effects in BaTiO3 nanowires}, author = {Geneste, Grégory and Bousquet, Eric and Junquera Quintana, Francisco Javier and Ghosez, Philippe}, }