Data for calculation of acoustic deformation potenial used in figures in "Improved Calculation of Acoustic Deformation Potentials from First Principles"
<p dir="ltr">These data sets are used to calculate the acoustic deformation potential for use in MC simulation of electron transport in silicon, diamond and cubic boron nitride. The data was calculated using quantum espresso and the extension EPW using the pseudopotential files inclu...
محفوظ في:
| المؤلف الرئيسي: | |
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| منشور في: |
2025
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| الموضوعات: | |
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| _version_ | 1852022703636086784 |
|---|---|
| author | Patrick Williams (20714579) |
| author_facet | Patrick Williams (20714579) |
| author_role | author |
| dc.creator.none.fl_str_mv | Patrick Williams (20714579) |
| dc.date.none.fl_str_mv | 2025-02-14T14:57:46Z |
| dc.identifier.none.fl_str_mv | 10.25405/data.ncl.28408655.v1 |
| dc.relation.none.fl_str_mv | https://figshare.com/articles/dataset/Data_for_calculation_of_acoustic_deformation_potenial_used_in_figures_in_Improved_Calculation_of_Acoustic_Deformation_Potentials_from_First_Principles_/28408655 |
| dc.rights.none.fl_str_mv | CC BY 4.0 info:eu-repo/semantics/openAccess |
| dc.subject.none.fl_str_mv | Condensed matter modelling and density functional theory DFT DFPT Deformation Potential Monte Carlo Simulation |
| dc.title.none.fl_str_mv | Data for calculation of acoustic deformation potenial used in figures in "Improved Calculation of Acoustic Deformation Potentials from First Principles" |
| dc.type.none.fl_str_mv | Dataset info:eu-repo/semantics/publishedVersion dataset |
| description | <p dir="ltr">These data sets are used to calculate the acoustic deformation potential for use in MC simulation of electron transport in silicon, diamond and cubic boron nitride. The data was calculated using quantum espresso and the extension EPW using the pseudopotential files included (*.upf).</p><p dir="ltr">The output of these were manipulated to find the acoustic deformation potentials at various polar and azimuthal angles (LA_*/TA_*) and the root mean square average at each polar angle (LA_Mean_*/TA_Mean_*).</p><p><br></p><table><tr><td></td></tr></table><p><br></p> |
| eu_rights_str_mv | openAccess |
| id | Manara_46119e7ed0314dd85cdfbbc76ec99ebc |
| identifier_str_mv | 10.25405/data.ncl.28408655.v1 |
| network_acronym_str | Manara |
| network_name_str | ManaraRepo |
| oai_identifier_str | oai:figshare.com:article/28408655 |
| publishDate | 2025 |
| repository.mail.fl_str_mv | |
| repository.name.fl_str_mv | |
| repository_id_str | |
| rights_invalid_str_mv | CC BY 4.0 |
| spelling | Data for calculation of acoustic deformation potenial used in figures in "Improved Calculation of Acoustic Deformation Potentials from First Principles"Patrick Williams (20714579)Condensed matter modelling and density functional theoryDFTDFPTDeformation PotentialMonte Carlo Simulation<p dir="ltr">These data sets are used to calculate the acoustic deformation potential for use in MC simulation of electron transport in silicon, diamond and cubic boron nitride. The data was calculated using quantum espresso and the extension EPW using the pseudopotential files included (*.upf).</p><p dir="ltr">The output of these were manipulated to find the acoustic deformation potentials at various polar and azimuthal angles (LA_*/TA_*) and the root mean square average at each polar angle (LA_Mean_*/TA_Mean_*).</p><p><br></p><table><tr><td></td></tr></table><p><br></p>2025-02-14T14:57:46ZDatasetinfo:eu-repo/semantics/publishedVersiondataset10.25405/data.ncl.28408655.v1https://figshare.com/articles/dataset/Data_for_calculation_of_acoustic_deformation_potenial_used_in_figures_in_Improved_Calculation_of_Acoustic_Deformation_Potentials_from_First_Principles_/28408655CC BY 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/284086552025-02-14T14:57:46Z |
| spellingShingle | Data for calculation of acoustic deformation potenial used in figures in "Improved Calculation of Acoustic Deformation Potentials from First Principles" Patrick Williams (20714579) Condensed matter modelling and density functional theory DFT DFPT Deformation Potential Monte Carlo Simulation |
| status_str | publishedVersion |
| title | Data for calculation of acoustic deformation potenial used in figures in "Improved Calculation of Acoustic Deformation Potentials from First Principles" |
| title_full | Data for calculation of acoustic deformation potenial used in figures in "Improved Calculation of Acoustic Deformation Potentials from First Principles" |
| title_fullStr | Data for calculation of acoustic deformation potenial used in figures in "Improved Calculation of Acoustic Deformation Potentials from First Principles" |
| title_full_unstemmed | Data for calculation of acoustic deformation potenial used in figures in "Improved Calculation of Acoustic Deformation Potentials from First Principles" |
| title_short | Data for calculation of acoustic deformation potenial used in figures in "Improved Calculation of Acoustic Deformation Potentials from First Principles" |
| title_sort | Data for calculation of acoustic deformation potenial used in figures in "Improved Calculation of Acoustic Deformation Potentials from First Principles" |
| topic | Condensed matter modelling and density functional theory DFT DFPT Deformation Potential Monte Carlo Simulation |