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ricci_boltztrap_mp_tabular

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Figshare2021-05-29 更新2026-04-28 收录
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https://figshare.com/articles/dataset/ricci_boltztrap_mp_tabular/14701110
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资源简介:
Ab-initio electronic transport database for inorganic materials. Complex multivariable BoltzTraP simulation data is condensed down into tabular form of two main motifs: average eigenvalues at set moderate carrier concentrations and temperatures, and optimal values among all carrier concentrations and temperatures within certain ranges. Here are reported the average of the eigenvalues of conductivity effective mass (mₑᶜᵒⁿᵈ), the Seebeck coefficient (S), the conductivity (σ), the electronic thermal conductivity (κₑ), and the Power Factor (PF) at a doping level of 10¹⁸ cm⁻³ and at a temperature of 300 K for n- and p-type. Also, the maximum values for S, σ, PF, and the minimum value for κₑ chosen among the temperatures [100, 1300] K, the doping levels [10¹⁶, 10²¹] cm⁻³, and doping types are reported. The properties that depend on the relaxation time are reported divided by the constant value 10⁻¹⁴. The average of the eigenvalues for all the properties at all the temperatures, doping levels, and doping types are reported in the tables for each entry. Data is indexed by materials project id (mpid)"
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2021-05-29
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