Spin-Orbit Coupling’s Effect on the Electronic Properties of Heavy Elements-Based Compounds
| Autor: | M. Abane, M. Elchikh, S. Bahlouli |
|---|---|
| Rok vydání: | 2019 |
| Předmět: |
Superconductivity
0209 industrial biotechnology Condensed matter physics Computer science Hydrostatic pressure 02 engineering and technology Spin–orbit interaction Semimetal 020901 industrial engineering & automation Ferromagnetism Phase (matter) 0202 electrical engineering electronic engineering information engineering First principle Condensed Matter::Strongly Correlated Electrons 020201 artificial intelligence & image processing Electronics Electronic band structure |
| Zdroj: | Lecture Notes in Networks and Systems ISBN: 9783030372064 |
| Popis: | The topological insulating is the topic studied in the last days, these compounds have a lot of properties as electronics, optics and till superconducting, among compounds that will be a topological insulating or topological semimetals are: the semi-Heuslers that contain heavy elements of general formula XYZ, this study was about one of them is: ScPdBi. We studied its structural properties to investigate its crystallographic phase: ferromagnetic (FM) or anti-ferromagnetic (AFM), we found that it is an AFM compound and we classified its structural properties parameters. After that, we studied its electronic properties (band structure and DOS) without spin-orbit coupling (SOC) where we found that this compound has a metallic character. Finally, we applied the SOC where we found different results according the electronic properties where the inversion band appeared so the topological non-trivial nature appeared; this compound is from the most important candidate for the superconducting applications found by an external effect about it as hydrostatic pressure. The calculations were by the first principle based in DFT implemented in ELK code; the exchange potential calculated by general gradient approximation (GGA). |
| Databáze: | OpenAIRE |
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