Zobrazeno 1 - 10
of 63
pro vyhledávání: '"Atsushi Togo"'
Publikováno v:
Science and Technology of Advanced Materials: Methods (2024)
A computer algorithm to search the symmetries of crystal structures, as implemented in the spglib code, is described. An iterative algorithm is employed to robustly identify space group types, tolerating a certain amount of distortion in the crystal
Externí odkaz:
https://doaj.org/article/62ae18e1707641ecb95ceeeacfa7b178
Autor:
Taizo Shibuya, Jonathan M. Skelton, Adam J. Jackson, Kenji Yasuoka, Atsushi Togo, Isao Tanaka, Aron Walsh
Publikováno v:
APL Materials, Vol 4, Iss 10, Pp 104809-104809-7 (2016)
In semiconductors almost all heat is conducted by phonons (lattice vibrations), which is limited by their quasi-particle lifetimes. Phonon-phonon interactions represent scattering mechanisms that produce thermal resistance. In thermoelectric material
Externí odkaz:
https://doaj.org/article/b50ef991edf44e008863832e119cd5be
Publikováno v:
Materia Japan. 61:841-843
Scientific simulation codes are public property sustained by the community. Modern technology allows anyone to join scientific software projects, from anywhere, remotely via the internet. The phonopy and phono3py codes are widely used open source pho
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d10afa02182ae12cc6ca271a6f2ec6b0
Autor:
Manuel Engel, Henrique Miranda, Laurent Chaput, Atsushi Togo, Carla Verdi, Martijn Marsman, Georg Kresse
Publikováno v:
Physical Review B. 106
Publikováno v:
Journal of Open Source Software. 8:5269
Longitudinal-optical (LO) mode phonon branches of KCl and NaCl were measured using inelastic x-ray scattering (IXS) at 300 K and calculated by the first-principles phonon calculation with the stochastic self-consistent harmonic approximation. Spectra
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7f0300fc54a17a6cbe3623194c81beda
Autor:
Isao Tanaka, Atsushi Togo
Publikováno v:
The Plaston Concept ISBN: 9789811677144
Fundamental information on the collective motion of atoms can be learned by tracing imaginary phonon modes in deformed crystals. This should be useful to investigate the atomic process of plaston in a logical manner. Here, we summarize our works on t
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::44fc415d88f7e4db345f43caba253465
https://doi.org/10.1007/978-981-16-7715-1_4
https://doi.org/10.1007/978-981-16-7715-1_4
Publikováno v:
Physical Review B. 102
We investigated phonon behavior of hexagonal close-packed titanium under homogeneous shear deformation corresponding to the ${10\overline{1}2}$ twinning mode using first-principles calculations and phonon calculations. By this deformation, we found t
Publikováno v:
Physical Review B: Condensed Matter and Materials Physics (1998-2015)
Physical Review B: Condensed Matter and Materials Physics (1998-2015), American Physical Society, 2019, 100 (17), ⟨10.1103/PhysRevB.100.174304⟩
Physical Review B: Condensed Matter and Materials Physics (1998-2015), American Physical Society, 2019, 100 (17), ⟨10.1103/PhysRevB.100.174304⟩
A computational method has been developed to compute the electron-phonon interactions using the projector augmented wave method and finite displacements. Aluminium and diamond crystals are considered to test our strategy. It is found that the potenti