Zobrazeno 1 - 10
of 15
pro vyhledávání: '"Malliga Suewattana"'
Autor:
Jiraroj T-Thienprasert, Narasak Pandech, Nuchalee Schwertfager, Malliga Suewattana, Sukit Limpijumnong
Publikováno v:
Ferroelectrics. 490:159-166
The x-ray absorption near edge spectra (XANES) of Bi, Mg and Ti in BMT for different off-centering magnitudes, associated with different structural models, were calculated by using first-principles calculations. The models studied include the high sy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2ac7cf266a6963b1630d7e15ac0aae9b
https://doi.org/10.1080/00150193.2015.1072688
https://doi.org/10.1080/00150193.2015.1072688
Autor:
Malliga Suewattana
Supplemental material to the manuscript titled " First principles study of local and electronic structures of yttrium-doped Ba(ZrxTi1−x)O3"
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::41c07c6605bf4ccbb540b11bdba9cb12
Autor:
Malliga Suewattana
Supplemental material to the manuscript titled " First principles study of local and electronic structures of yttrium-doped Ba(ZrxTi1−x)O3"
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::41af77ff328ed7cec42d2260300e4257
Publikováno v:
Synthetic Metals. 202:98-102
We study the effect of skeleton conformations on the electronic structure of polysilanes and polysilanes with 50% Ti substitution (polytitasilanes) using first principle calculations. Various conformations including a trans-planar and a helical geome
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::7694870b83ed7b1412126904e37decfe
https://doi.org/10.1016/j.synthmet.2015.01.013
https://doi.org/10.1016/j.synthmet.2015.01.013
Autor:
Masashi Tokunaga, Malliga Suewattana, Atsushi Miyake, T. J. Sato, Yang Zhao, G. Gitgeatpong, Purintorn Chanlert, Hidekazu Tanaka, Shiwei Zhang, Kittiwit Matan, Nobuyuki Kurita
Publikováno v:
Physical Review B. 95
High-field magnetization of the spin-$1/2$ antiferromagnet $\ensuremath{\alpha}\text{\ensuremath{-}}{\mathrm{Cu}}_{2}{\mathrm{V}}_{2}{\mathrm{O}}_{7}$ was measured in pulsed magnetic fields of up to 56 T in order to study its magnetic phase diagram.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b3b14074cf1b2a2726b50d5dfc8b06ca
https://doi.org/10.1103/physrevb.95.245119
https://doi.org/10.1103/physrevb.95.245119
Publikováno v:
Solid State Sciences. 9:604-607
We discuss the electronic structure of Na x CoO 2 from the point of view of first principles electronic structure calculations. The band structure contains low spin Co ions, with average charge 5 + x leading to a nearly full Co t 2g manifold. The ban
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::919c9502ad917be3b04be36b49bc65f0
https://doi.org/10.1016/j.solidstatesciences.2007.03.008
https://doi.org/10.1016/j.solidstatesciences.2007.03.008
Publikováno v:
Computer Physics Communications. 169:394-399
To treat interacting quantum systems, it is often crucial to have accurate calculations beyond the mean-field level. Many-body simulations based on field-theoretical approaches are a promising tool for this purpose and are applied in several sub-fiel
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3fc2f534e1c4738dec50dde1bad0750a
https://doi.org/10.1016/j.cpc.2005.03.087
https://doi.org/10.1016/j.cpc.2005.03.087
Publikováno v:
Physical Review B. 86
We investigate the structure of Bi(Mg{sub 1/2}Ti{sub 1/2})O{sub 3} using first-principles calculations. Electric field gradients are reported. The qualitative tilts of the perovskite octahedra are in accord with previously reported x-ray results, but
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::08327db6abcce2373f35a42ee575edbf
https://doi.org/10.1103/physrevb.86.064105
https://doi.org/10.1103/physrevb.86.064105
Autor:
David J. Singh, Malliga Suewattana
Publikováno v:
Physical Review B. 82
The local structure and dynamics of piezoelectric K{sub 1-x}Na{sub x}NbO{sub 3} perovskite solid solutions with and without partial Ta substitution at x = 0.5 are investigated using first principles calculations for supercells. The results are analyz
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3134af49382459bdf5ad57db3a5e3b25
https://doi.org/10.1103/physrevb.82.014114
https://doi.org/10.1103/physrevb.82.014114
Publikováno v:
Physical Review B. 78
First-principles supercell calculations are used to investigate the lattice distortions in ${\text{BaZrO}}_{3}$ heavily codoped with K and La. We find that nonferroelectric ${\text{BaZrO}}_{3}$ can be made ferroelectric in this way. The ferroelectric
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cfeabc5a45422474bd033c9f03aa26d2
https://doi.org/10.1103/physrevb.78.012103
https://doi.org/10.1103/physrevb.78.012103