Published March 13, 2017
| Version v1
Dataset
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Synthesis of Ti3AuC2, Ti3Au2C2 and Ti3IrC2 by noble-metal substitution reaction in Ti3SiC2 for high-temperature-stable ohmic contacts to SiC
Authors/Creators
- 1. Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-581 83 Linköping, Sweden
Description
Repository data for paper "Synthesis of Ti3AuC2, Ti3Au2C2 and Ti3IrC2 by noble-metal substitution reaction in Ti3SiC2 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:
Fig1d.xlsx
XRD data:
Fig1h.xlsx, Fig2g.xlsx, FigS3.xlsx, FigS7a.xlsx
I/V-measurements:
Fig4c.xlsx, FigS7b.xlsx, FigS13.xlsx
Electrical resistance:
FigS5.xlsx, FigS14.xlsx
Notes
We acknowledge Dr. Henrik Pedersen for useful discussions about the results. We also acknowledge the support from the VINN Excellence Center in research and innovation on Functional Nanoscale Materials (FunMat) by the Swedish Governmental Agency for Innovation Systems. P.E, J.L., M.D., and J.R. also acknowledge support from the Swedish Foundation for Strategic Research through the Future Research Leaders 5 Program and the Synergy Grant FUNCASE, Functional Carbides and Advanced Surface Engineering. L.H. acknowledges the Knut and Alice Wallenberg Foundation for a Scholar Grant and support to the Linköping Ultra Electron Microscopy Laboratory. The calculations were performed on resources provided by the Swedish National Infrastructure for Computing (SNIC) at National Supercomputer Centre (NSC) and PDC.
Files
Ti2AuC_P63mmc.zip
Files
(517.9 MB)
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