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BaTiO3
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Ab-initio phonon calculation for BaTiO3 / C222_1 (20) / materials id 558125
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / C222_1 (20) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaTiO3
,
C222_1 (20)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
26/05/2023
Ab-initio phonon calculation for BaTiO3 / R3m (160) / materials id 5020
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / R3m (160) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaTiO3
,
Phonon
, and
R3m (160)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for BaTiO3 / P4mm (99) / materials id 12992
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / P4mm (99) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaTiO3
,
P4mm (99)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
18/05/2023
Ab-initio phonon calculation for BaTiO3 / P6_3/mmc (194) / materials id 5933
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / P6_3/mmc (194) Phonon band structure, phonon DOS, thermal properties at constant volume, and ph...
Keyword:
BaTiO3
,
P6_3/mmc (194)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
17/05/2023
Ab-initio phonon calculation for BaTiO3 / Amm2 (38) / materials id 5777
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / Amm2 (38) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
Amm2 (38)
,
BaTiO3
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaTiO3 / P4mm (99) / materials id 5986
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / P4mm (99) Phonon band structure, phonon DOS, thermal properties at constant volume, and phonon ...
Keyword:
BaTiO3
,
P4mm (99)
, and
Phonon
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
Ab-initio phonon calculation for BaTiO3 / Pm-3m (221) / materials id 2998
Description/Abstract:
Ab-initio phonon calculation for BaTiO3 / Pm-3m (221) Phonon band structure, phonon DOS, thermal properties at constant volume, and phono...
Keyword:
BaTiO3
,
Phonon
, and
Pm-3m (221)
Resource Type:
Dataset
Data origin:
simulation
Author:
Atsushi Togo
Date Uploaded:
15/05/2023
XAFS spectrum of Barium titanate
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Ba L21-edge of Barium titanate measured at SPring-8 BL14B2, an...
Keyword:
BL14B2
,
Ba L21-edge
,
BaTiO3
,
Barium titanate
,
Oxide_ate
,
SPring-8
,
Si(111)
,
XAFS
, and
collection - MDR XAFS DB
Material/Specimen:
Barium titanate
Resource Type:
Dataset
Data origin:
experiments
Contact person:
Industrial Application and Partnership Division
Date Uploaded:
24/07/2021
XAFS spectrum of Barium titanate
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Ba L3-edge of Barium titanate measured at SPring-8 BL14B2, and...
Keyword:
BL14B2
,
Ba L3-edge
,
BaTiO3
,
Barium titanate
,
Oxide_ate
,
SPring-8
,
Si(111)
,
XAFS
, and
collection - MDR XAFS DB
Material/Specimen:
Barium titanate
Resource Type:
Dataset
Data origin:
experiments
Contact person:
Industrial Application and Partnership Division
Date Uploaded:
23/07/2021
XAFS spectrum of Barium titanate
Description/Abstract:
This dataset consists of X-ray absorption fine structure (XAFS) spectra at Ti K-edge of Barium titanate measured at SPring-8 BL14B2, and ...
Keyword:
BL14B2
,
BaTiO3
,
Barium titanate
,
Oxide_ate
,
SPring-8
,
Si(111)
,
Ti K-edge
,
XAFS
, and
collection - MDR XAFS DB
Material/Specimen:
Barium titanate
Resource Type:
Dataset
Data origin:
experiments
Contact person:
Industrial Application and Partnership Division
Date Uploaded:
23/07/2021
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MDR phonon calculation database
7
MDR XAFS DB
5
Keyword
BaTiO3
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Phonon
7
BL14B2
5
Barium titanate
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5
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NIMS
7
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Creative Commons BY Attribution 4.0 International
7
Creative Commons BY-NC-SA Attribution-NonCommercial-ShareAlike 4.0 International
5
Data origin
simulation
7
experiments
5
Characterization methods
spectroscopy -- x-ray absorption spectroscopy
5
Material/Specimen
Barium titanate
5
Author
Atsushi Togo
7
Contact person
Industrial Application and Partnership Division
5
Instrument manufacturer
Japan Synchrotron Radiation Research Institute
5
Instrument managing organization
Japan Synchrotron Radiation Research Institute
5
Funder
MEXT
7
Software
VASP
7
phonopy
7
spglib
7