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11.
Phono3py input data to calculate lattice thermal conductvities for zincblende-AlAs
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
zincblende-AlAs
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
12.
Phono3py input data to calculate lattice thermal conductvities for zincblende-BP
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-BP in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
zincblende-BP
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
13.
Phono3py input data to calculate lattice thermal conductvities for wurtzite-ZnO
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
wurtzite-ZnO
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
14.
Phono3py input data to calculate lattice thermal conductvities for zincblende-BeSe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-BeSe in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-BeSe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
15.
Phono3py input data to calculate lattice thermal conductvities for rocksalt-RbH
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-RbH in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-RbH
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
16.
Phono3py input data to calculate lattice thermal conductvities for zincblende-ZnS
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
zincblende-ZnS
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
17.
Phono3py input data to calculate lattice thermal conductvities for zincblende-CdTe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-CdTe in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-CdTe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
18.
Phono3py input data to calculate lattice thermal conductvities for zincblende-CuI
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-CuI in Fig.17 of the paper https://doi.org/10.7566...
Keyword:
Phonon
and
zincblende-CuI
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
19.
Phono3py input data to calculate lattice thermal conductvities for wurtzite-InSb
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
wurtzite-InSb
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
20.
Phono3py input data to calculate lattice thermal conductvities for zincblende-InP
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
zincblende-InP
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
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10,137
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MDR phonon calculation database
10,034
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
Keyword
Phonon
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10,137
P2_1/c (14)
1,072
Pnma (62)
839
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599
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10,137
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Rights Statement Sim
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10,137
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103
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Atsushi Togo
10,137
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10,034
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10,137
phonopy
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10,137
spglib
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phono3py
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