Synthesis Of Ti3Auc2, Ti3Au2C2 And Ti3Irc2 By Noble-Metal Substitution Reaction In Ti3Sic2 For High-Temperature-Stable Ohmic Contacts To Sic
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Repository data for paper "Synthesis of Ti<sub>3</sub>AuC<sub>2</sub>, Ti<sub>3</sub>Au<sub>2</sub>C<sub>2</sub> and Ti<sub>3</sub>IrC<sub>2</sub> by noble-metal substitution reaction in Ti<sub>3</sub>SiC<sub>2</sub> for high-temperature-stable ohmic contacts to SiC". Detailed information: Data from calculations include relaxed structures, electronic band-structure (selected compounds), electronic density of states and crystal overlap Hamilton population (selected compounds). In addition, spin-orbit coupling used for selected compounds. Data fro each compound are found in separate zip files. Scripts used to extract data are found in tools.zip. EDX-mapping:<br> Fig1d.xlsx XRD data:<br> Fig1h.xlsx, Fig2g.xlsx, FigS3.xlsx, FigS7a.xlsx I/V-measurements:<br> Fig4c.xlsx, FigS7b.xlsx, FigS13.xlsx Electrical resistance:<br> FigS5.xlsx, FigS14.xlsx
论文《通过在Ti₃SiC₂中进行贵金属置换反应合成Ti₃AuC₂、Ti₃Au₂C₂与Ti₃IrC₂以制备SiC用高温稳定欧姆接触》的配套存储库数据。 详细信息： 计算所得数据包含弛豫结构、电子能带结构（选取部分化合物）、电子态密度以及晶体重叠哈密顿布居（Crystal Overlap Hamilton Population）（选取部分化合物）。此外，针对部分化合物开展了自旋轨道耦合相关计算。各化合物的数据均存储于独立的压缩包中。用于提取数据的脚本位于tools.zip压缩包内。 能量色散X射线光谱映射（Energy Dispersive X-ray Spectroscopy Mapping, EDX-mapping）数据：Fig1d.xlsx X射线衍射（X-ray Diffraction, XRD）数据：Fig1h.xlsx、Fig2g.xlsx、FigS3.xlsx、FigS7a.xlsx 电流-电压测量（I/V-measurements）数据：Fig4c.xlsx、FigS7b.xlsx、FigS13.xlsx 电阻测试数据：FigS5.xlsx、FigS14.xlsx
