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Phono3py input data to calculate lattice thermal conductvities for rocksalt-PbS
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
rocksalt-PbS
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
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
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
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
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
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
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
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
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
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
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MDR phonon calculation database
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MDR XAFS DB
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Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
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FGMs Database
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14
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11
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2022
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TODOROKI, Shin-ichi
31
National Institute for Materials Science
2
MIYAZAWA, Kun'ichi
1
VINK, Karina
1
Author
Atsushi Togo
10,137
National Institute for Materials Science
69
UEDA, Shigenori
24
YOSHIKAWA, Hideki
9
NAGATA, Takahiro
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Masashi Ishii
225
Center for Basic Research on Materials
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PRYTULIAK, Anastasiia
1
TODOROKI, Shin-ichi
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TOYOOKA, Yoshiya
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National Institute for Materials Science
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136
Ritsumeikan SR Center
75
Aichi SR
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Crossbeam 1540 EsB FIB/SEM
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EHF-ED50KN-10L
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TM-BH25-C1
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Japan Synchrotron Radiation Research Institute
1,794
Ritsumeikan University
75
National Institute of Technology and Evaluation
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75
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https://matvoc.nims.go.jp/entity/Q686
410
http://matvoc.nims.go.jp/entity/Q202
225
http://matvoc.nims.go.jp/entity/Q686
96
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10,034
Japan Society for the Promotion of Science
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文部科学省
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VASP
10,137
phonopy
10,137
spglib
10,137
phono3py
103
CASTEP
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Journal of Surface Analysis
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