Calculating the Stability of Different Surfaces of GaAsxP1−x Mixed-Crystals using the Virtual Crystal Approximation

Name: Calculating the Stability of Different Surfaces of GaAsxP1−x Mixed-Crystals using the Virtual Crystal Approximation
Creator: TU Ilmenau, Germany
Published: 2023-07-09T00:00:00+08:00

Zenodo2023-07-09 更新2026-04-07 收录

半导体材料

晶体稳定性模拟

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https://zenodo.org/record/8127725 数据链接链接失效反馈

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资源简介：

Data necessary to reproduce all figures in the paper.

提供机构：

TU Ilmenau, Germany

创建时间：

2023-07-09

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Unsubstituted and structurally well-defined poly(para-phenylene) (PPP) has been long-desired as an organic semiconductor prototype of conjugated polymers. To date, several attempts to synthesize unsu

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半导体材料

Si is diamond structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Si is bonded to four equivalent Si atoms to form corner-sharing SiSi4 tetrahedra. All Si–S

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mstar60

半导体材料

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mstar60数据集由麦克马斯特大学材料科学与工程系创建，包含60个有效质量数据，来源于18种半导体材料。该数据集用于评估不同交换相关势在半导体有效质量计算中的性能。数据集的创建过程涉及从现有文献和Landolt-Börnstein数据库收集实验数据，并对多重实验值进行平均处理。mstar60数据集主要用于解决半导体材料设计和选择中的有效质量预测问题，特别是在高吞吐量计算材料研究中作为载流子迁移性

arXiv2022-05-07 更新60

Calculating the Stability of Different Surfaces of GaAsxP1−x Mixed-Crystals using the Virtual Crystal Approximation

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