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Atsushi Togo
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Phono3py input data to calculate lattice thermal conductvities for zincblende-BeS
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-BeS in Fig.17 of the paper https://doi.org/10.7566...
Keyword:
Phonon
and
zincblende-BeS
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CdTe
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
wurtzite-CdTe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-InAs
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-InAs in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-InAs
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-ZnTe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-ZnTe in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
wurtzite-ZnTe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-RbI
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
rocksalt-RbI
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-LiCl
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-LiCl in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-LiCl
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-BeS
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-BeS in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
wurtzite-BeS
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-BeSe
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
wurtzite-BeSe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-AlN
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
wurtzite-AlN
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-RbBr
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-RbBr in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-RbBr
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
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MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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Phonon
10,137
P2_1/c (14)
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Pnma (62)
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Creative Commons BY Attribution 4.0 International
10,137
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10,034
simulations
103
Author
Atsushi Togo
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10,137
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MEXT
10,034
Software
VASP
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phonopy
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spglib
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phono3py
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