(001) domains, Journal of Physics: Condensed Matter, vol.24, issue.27, p.275901, 2012. ,
DOI : 10.1088/0953-8984/24/27/275901
Reversible Chemical Switching of a Ferroelectric Film, Physical Review Letters, vol.102, issue.4, p.47601, 2009. ,
DOI : 10.1103/PhysRevLett.102.047601
surfaces and their relation to ferroelectricity, Physical Review B, vol.79, issue.23, p.235420, 2009. ,
DOI : 10.1103/PhysRevB.79.235420
Band alignment at metal/ferroelectric interfaces: Insights and artifacts from first principles, Physical Review B, vol.83, issue.23, p.235112, 2011. ,
DOI : 10.1103/PhysRevB.83.235112
Ferromagneticlike Closure Domains in Ferroelectric Ultrathin Films: First-Principles Simulations, Physical Review Letters, vol.100, issue.17, p.177601, 2008. ,
DOI : 10.1103/PhysRevLett.100.177601
surfaces in external electric fields, Physical Review B, vol.63, issue.20, p.205426, 2001. ,
DOI : 10.1103/PhysRevB.63.205426
Effect of the surface polarization in polar perovskites studied from first principles, Physical Review B, vol.77, issue.9, p.94112, 2008. ,
DOI : 10.1103/PhysRevB.77.094112
films, Physical Review B, vol.81, issue.14, p.144116, 2010. ,
DOI : 10.1103/PhysRevB.81.144116
URL : https://hal.archives-ouvertes.fr/jpa-00255231
single crystal lamellae and comparison with other ferroics, Physical Review B, vol.74, issue.2, p.24115, 2006. ,
DOI : 10.1103/PhysRevB.74.024115
Correlations and local order parameter in the paraelectric phase of barium titanate, Journal of Physics: Condensed Matter, vol.23, issue.12, p.125901, 2011. ,
DOI : 10.1088/0953-8984/23/12/125901
Self-Consistent Equations Including Exchange and Correlation Effects, Physical Review, vol.140, issue.4A, p.1133, 1965. ,
DOI : 10.1103/PhysRev.140.A1133
Accurate and simple analytic representation of the electron-gas correlation energy, Physical Review B, vol.45, issue.23, p.13244, 1992. ,
DOI : 10.1103/PhysRevB.45.13244
density-functional calculations for very large systems, Physical Review B, vol.53, issue.16, p.10441, 1996. ,
DOI : 10.1103/PhysRevB.53.R10441
materials simulation, Journal of Physics: Condensed Matter, vol.14, issue.11, p.2745, 2002. ,
DOI : 10.1088/0953-8984/14/11/302
Effect of Mechanical Boundary Conditions on Phase Diagrams of Epitaxial Ferroelectric Thin Films, Physical Review Letters, vol.80, issue.9, p.1988, 1998. ,
DOI : 10.1103/PhysRevLett.80.1988
Phase diagrams of epitaxial BaTiO3 ultrathin films from first principles, Applied Physics Letters, vol.86, issue.13, p.132904, 2005. ,
DOI : 10.1063/1.1890480
First-principles study of epitaxial strain in perovskites, Physical Review B, vol.72, issue.14, p.144101, 2005. ,
DOI : 10.1103/PhysRevB.72.144101
Films under Tensile Epitaxial Strain from First Principles, Physical Review Letters, vol.106, issue.23, p.237601, 2011. ,
DOI : 10.1103/PhysRevLett.106.237601
URL : https://hal.archives-ouvertes.fr/hal-00601210
Finite-size effects in BaTiO3 nanowires, Applied Physics Letters, vol.88, issue.11, p.112906, 2006. ,
DOI : 10.1063/1.2186104
Simple views on surface stress and surface energy concepts, Advances in Natural Sciences: Nanoscience and Nanotechnology, vol.5, issue.1, p.13002, 2014. ,
DOI : 10.1088/2043-6262/5/1/013002
Low-temperature anharmonicity of barium titanate: A path-integral molecular-dynamics study, Physical Review B, vol.87, issue.1, p.14113, 2013. ,
DOI : 10.1103/PhysRevB.87.014113
Absence of large compressive stress on Si(111), Physical Review Letters, vol.59, issue.13, p.1456, 1987. ,
DOI : 10.1103/PhysRevLett.59.1456
Calculations of the Surface Stress Tensor at Aluminum (111) and (110) Surfaces, Physical Review Letters, vol.58, issue.1, p.53, 1987. ,
DOI : 10.1103/PhysRevLett.58.53
Physics and Chemistry at Oxide Surfaces, 1996. ,
DOI : 10.1017/CBO9780511524301
Surface enhanced covalency and Madelung potentials in Nb doped SrTiO3 (100), (110) and (111) single crystals, Surface Science, vol.604, issue.19-20, p.1674, 2010. ,
DOI : 10.1016/j.susc.2010.06.012