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Data for calculation of acoustic deformation potenial used in figures in "Improved Calculation of Acoustic Deformation Potentials from First Principles"

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DataCite Commons2025-02-14 更新2025-04-16 收录
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https://data.ncl.ac.uk/articles/dataset/Data_for_calculation_of_acoustic_deformation_potenial_used_in_figures_in_Improved_Calculation_of_Acoustic_Deformation_Potentials_from_First_Principles_/28408655
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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).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_*).<br><br>
提供机构:
Newcastle University
创建时间:
2025-02-14
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