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Phono3py input data to calculate lattice thermal conductvities for rocksalt-NaH
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-NaH in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-NaH
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-SiC
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
wurtzite-SiC
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-GaAs
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-GaAs in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
wurtzite-GaAs
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-AlP
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-AlP in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
wurtzite-AlP
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-KI
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
rocksalt-KI
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-InN
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-InN in Fig.17 of the paper https://doi.org/10.7566...
Keyword:
Phonon
and
zincblende-InN
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-KCl
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-KCl in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-KCl
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-CsF
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-CsF in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-CsF
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-BeO
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-BeO in Fig.17 of the paper https://doi.org/10.7566...
Keyword:
Phonon
and
zincblende-BeO
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-CaO
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-CaO in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-CaO
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
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MDR phonon calculation database
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Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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10,137
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phonopy
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