Zobrazeno 1 - 10
of 13
pro vyhledávání: '"Shogo Tomoda"'
Publikováno v:
Mechanical Engineering Journal, Vol 2, Iss 3, Pp 15-00037-15-00037 (2015)
Nonlinear defect interactions between the 180° domain wall and oxygen-vacancies (O-vacancies) in PbTiO3, and the characteristic ferroelectricity due to the interactions are investigated using first-principles calculations based on the hybrid Hartree
Externí odkaz:
https://doaj.org/article/ff1341ebfc9347e5b203d7d22d18fd36
Publikováno v:
Mechanical Engineering Journal. 2:15-00037
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a3c16e016ac829bc00eba987e72b00a2
https://doi.org/10.1299/mej.15-00037
https://doi.org/10.1299/mej.15-00037
Publikováno v:
Physica B: Condensed Matter. 410:22-27
Ferroelectricity at a PbTiO 3 junction structure of a 180° domain wall and a (0 0 1) surface with [0 1 0]-directional spontaneous polarization parallel to the surface has been investigated by ab initio (first-principles) density functional theory ca
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::25a2e2b363540660d7998e0d724ad6b4
https://doi.org/10.1016/j.physb.2012.10.034
https://doi.org/10.1016/j.physb.2012.10.034
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 24(4)
Ab initio (first-principles) density functional theory (DFT) calculations are performed within the local density approximations (LDA) to investigate the ferroelectricity at PbTiO(3) surface steps consisting of (001) and (100) surfaces with a spontane
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1083e814fc87042fec0eedb76c29f96f
https://pubmed.ncbi.nlm.nih.gov/22214891
https://pubmed.ncbi.nlm.nih.gov/22214891
Autor:
Takahiro Shimada, Shogo Tomoda, Takayuki Kitamura, Christian Elsässer, P. Marton, Xiaoyuan Wang
Publikováno v:
Physical Review B. 83
Atomic and electronic structures as well as ferroelectricity at $\ensuremath{\Sigma}$5(001) twist boundaries in ferroelectric PbTiO${}_{3}$ have been investigated using first-principles (ab initio) density-functional theory calculations within the lo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3aae1b0c28e433305058199cecc8266b
https://doi.org/10.1103/physrevb.83.094121
https://doi.org/10.1103/physrevb.83.094121
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 22(35)
We performed ab initio density functional theory calculations to investigate ferroelectricity at PbTiO(3) surface steps consisting of (100) and (001) surfaces with the polar axis in the [010] direction. Ferroelectricity was enhanced at PbO-terminated
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::185152a844b62edebcf52cfdcff82f9b
https://pubmed.ncbi.nlm.nih.gov/21403300
https://pubmed.ncbi.nlm.nih.gov/21403300
Publikováno v:
Physical Review B. 81
Ab initio density-functional theory calculations within the local density approximation were conducted to elucidate whether critical thickness for ferroelectricity intrinsically exists in free-standing polydomain ${\text{PbTiO}}_{3}$ ultrathin films,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::924448c0acfa01e7c37dc875103a53b8
https://doi.org/10.1103/physrevb.81.144116
https://doi.org/10.1103/physrevb.81.144116
Publikováno v:
Physical Review B. 79
The atomistic and electronic structures of ${\text{PbTiO}}_{3}$ nanowires with characteristic edges consisting of (100) and (010) surfaces and the crucial role of axial tensile strain on ferroelectricity have been investigated by means of ab initio d
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a22621bb5d45822c2c3a26ac2bb35e87
https://doi.org/10.1103/physrevb.79.024102
https://doi.org/10.1103/physrevb.79.024102
Publikováno v:
MRS Proceedings. 1199
Atomistic and electronic structures of PbTiO3 nanowires with atomically sharp edges consisting of (100)/(010) surfaces using first-principles calculations. Ferroelectricity is enhanced at the PbO-terminated edge in the nanowire because the Pb-O coval
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::f33b827c6188068f138a09338b778738
https://doi.org/10.1557/proc-1199-f09-09
https://doi.org/10.1557/proc-1199-f09-09
Publikováno v:
The Proceedings of the Symposium on Micro-Nano Science and Technology. :37-38
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::0efb7c58db398c76fe4cb42c1a6a8e82
https://doi.org/10.1299/jsmemnm.2009.1.37
https://doi.org/10.1299/jsmemnm.2009.1.37