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Publikováno v:
Science and Technology of Advanced Materials: Methods, Vol 4, Iss 1 (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
Publikováno v:
Materia Japan. 61:841-843
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::272d51d650815e0906a1647f7113a5a8
https://doi.org/10.2320/materia.61.841
https://doi.org/10.2320/materia.61.841
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
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::c1dcba3ab107de8b214afb2fbac654cb
https://doi.org/10.1103/physrevb.106.094316
https://doi.org/10.1103/physrevb.106.094316
Publikováno v:
Journal of Open Source Software. 8:5269
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::682e22d1ca310c8f7ae3a420c4aea8e4
https://doi.org/10.21105/joss.05269
https://doi.org/10.21105/joss.05269
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
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
Autor:
Skelton, Jonathan M., Tiana, Davide, Parker, Stephen C., Atsushi Togo, Isao Tanaka, Walsh, Aron
Publikováno v:
Journal of Chemical Physics; 2015, Vol. 143 Issue 6, p1-14, 14p, 1 Chart, 9 Graphs