Skip to Content
Toggle navigation
Home
About
Help
Contact
Login
Search MDR
Go
Search Constraints
Start Over
Filtering by:
Data origin
simulations
Remove constraint Data origin: simulations
« Previous |
1
-
50
of
112
|
Next »
Sort by date modified ▼
relevance
date uploaded ▼
date uploaded ▲
date modified ▼
date modified ▲
Number of results to display per page
50 per page
10
per page
20
per page
50
per page
100
per page
View results as:
List
Gallery
Masonry
Slideshow
Search Results
Phono3py input data to calculate lattice thermal conductvities for zincblende-CdSe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-CdSe in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-CdSe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-InAs
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-InAs in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
wurtzite-InAs
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-AlSb
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-AlSb in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-AlSb
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-NaI
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-NaI in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-NaI
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-CuBr
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-CuBr in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-CuBr
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-CuH
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-CuH in Fig.17 of the paper https://doi.org/10.7566...
Keyword:
Phonon
and
zincblende-CuH
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-AgCl
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-AgCl in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-AgCl
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-KH
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-KH in Fig.17 of the paper https://doi.org/10.7566/JP...
Keyword:
Phonon
and
rocksalt-KH
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-KBr
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-KBr in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-KBr
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-BP
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-BP in Fig.17 of the paper https://doi.org/10.7566/JP...
Keyword:
Phonon
and
wurtzite-BP
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-PbTe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-PbTe in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-PbTe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-AgBr
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
rocksalt-AgBr
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-SrO
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-SrO in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-SrO
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-PbSe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-PbSe in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-PbSe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-LiH
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-LiH in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-LiH
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-BaO
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-BaO in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-BaO
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-AlAs
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-AlAs in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
wurtzite-AlAs
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CdSe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-CdSe in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
wurtzite-CdSe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-BeO
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-BeO in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
wurtzite-BeO
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CuCl
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-CuCl in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
wurtzite-CuCl
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-ZnSe
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
wurtzite-ZnSe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-CaSe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-CaSe in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-CaSe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-BAs
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
wurtzite-BAs
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-AlP
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-AlP in Fig.17 of the paper https://doi.org/10.7566...
Keyword:
Phonon
and
zincblende-AlP
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-ZnSe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-ZnSe in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-ZnSe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-InN
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-InN in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
wurtzite-InN
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-GaP
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-GaP in Fig.17 of the paper https://doi.org/10.7566...
Keyword:
Phonon
and
zincblende-GaP
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-BaS
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-BaS in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-BaS
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-NaCl
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
rocksalt-NaCl
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-SiC
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-SiC in Fig.17 of the paper https://doi.org/10.7566...
Keyword:
Phonon
and
zincblende-SiC
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-NaBr
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-NaBr in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-NaBr
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-LiF
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-LiF in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
rocksalt-LiF
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-CaTe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-CaTe in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-CaTe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-CuH
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-CuH in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
wurtzite-CuH
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-BeTe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-BeTe in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-BeTe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-CdO
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
rocksalt-CdO
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-GaP
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-GaP in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
wurtzite-GaP
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-BN
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-BN in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
zincblende-BN
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-BeTe
Description/Abstract:
Forces and parameters required for non-analytical term correction (Born effective charges and dielectric constants) were calculated using...
Keyword:
Phonon
and
wurtzite-BeTe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-AgI
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-AgI in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
wurtzite-AgI
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for rocksalt-BaTe
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of rocksalt-BaTe in Fig.17 of the paper https://doi.org/10.7566/...
Keyword:
Phonon
and
rocksalt-BaTe
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for wurtzite-InP
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of wurtzite-InP in Fig.17 of the paper https://doi.org/10.7566/J...
Keyword:
Phonon
and
wurtzite-InP
Resource Type:
Dataset
Data origin:
simulations
Author:
Atsushi Togo
Date Uploaded:
28/01/2024
Phono3py input data to calculate lattice thermal conductvities for zincblende-GaAs
Description/Abstract:
Phono3py input data used to calculate the lattice thermal conductivities of zincblende-GaAs in Fig.17 of the paper https://doi.org/10.756...
Keyword:
Phonon
and
zincblende-GaAs
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
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-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 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 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-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 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
« Previous
Next »
1
2
3
Toggle facets
Limit your search
Type of work
Dataset
112
Collection
Lattice thermal conductivity calculation datasets for 103 binary compounds by finite displacement method
103
CPDDB
2
Keyword
Phonon
103
CALPHAD
2
Computational thermodynamics
2
First-principles calculation
2
Phase diagram
2
more
Keywords
»
Language
English
5
Japanese
2
Publisher
NIMS
103
National Institute for Materials Science
3
Royal Society of Chemistry
3
Resource type
Dataset
112
Software or Program Code
2
Visibility
open
112
Rights Statement Sim
Creative Commons BY Attribution 4.0 International
107
In Copyright
3
Creative Commons BY-NC Attribution-NonCommercial 4.0 International
1
MIT License
1
Computational methods
density functional theory or electronic structure
3
CALPHAD
2
statistical mechanics
1
Data origin
simulations
[remove]
112
Properties addressed
thermodynamic -- phase diagram
2
electrical -- dielectric constant and spectra
1
optical
1
Characterization methods
other
1
Material/Specimen
Formamidinium–lead–chloride–dimethyl sulfoxide
1
organic solvents
1
Material type
Hybrid halide
1
Date created
2020
1
2021
1
Date updated
2021
1
Date
2020
1
Author
Atsushi Togo
103
ABE, Taichi
2
GOTO, Yumi
2
HASHIMOTO, Kiyoshi
2
HIROSE, Kiyomi
2
more
Authors
»
License
https://creativecommons.org/licenses/by/4.0/
2
http://opensource.org/licenses/MIT
1
Funder
Japan Society for the Promotion of Science (JSPS)
1
RIKEN
1
Software
VASP
103
phono3py
103
phonopy
103
spglib
103
CASTEP
1
more
Softwares
»
Journal
Physical Chemistry Chemical Physics
2
CrystEngComm
1
e-Journal of Surface Science and Nanotechnology
1