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The phase transition behaviour of PbTiO3 and BaTiO3 under (111) epitaxial strain is investigated using density-functional theory calculations. From tensile strains of +0.015 to compressive strains of -0.015, PbTiO3 undergoes phase transitions from C2
Externí odkaz:
http://arxiv.org/abs/0806.0522
Autor:
Oja, Riku, Nieminen, Risto M.
The electronic and structural properties of different charge-imbalanced perovskite oxide NaNbO3/SrTiO3 superlattices are investigated with density-functional theory (local density approximation and local spin density approximation+U) methods. Metalli
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=od_______661::66258939516456e5aebab93f31bfbd75
https://aaltodoc.aalto.fi/handle/123456789/17271
https://aaltodoc.aalto.fi/handle/123456789/17271