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Screening potential topological insulators in half-Heusler compounds via compressed-sensing
Jianghui Liu1, Guohua Cao1, Zizhen Zhou1
1Key Laboratory of Artificial Micro- and Nano-Structures of Ministry of Education and School of Physics and Technology, Wuhan University, Wuhan 430072, People's Republic of China.
Summary
Researchers developed a fast screening method using a new descriptor to identify potential topological insulators (TIs) in half-Heusler compounds. This approach accelerates the discovery of novel materials with tunable electronic properties.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Computational Materials Science
Background:
- Ternary half-Heusler compounds offer tunable electronic structures, making them promising candidates for discovering topological insulators (TIs).
- Identifying new TIs is challenging due to the computationally intensive and time-consuming nature of current screening and synthesis methods.
Purpose of the Study:
- To develop a rapid screening approach for identifying potential topological insulators within the half-Heusler material family.
- To overcome the limitations of traditional methods by employing a computationally efficient descriptor.
Main Methods:
- A compressed-sensing approach was utilized for high-throughput screening of half-Heusler compounds.
- A novel two-dimensional descriptor, based solely on fundamental atomic properties, was developed and applied.
Main Results:
- The developed descriptor successfully screened a large number of new half-Heusler compounds, including those with complex stoichiometries.
- The method predicted a significantly larger number of potential topological insulators compared to existing techniques.
Conclusions:
- The compressed-sensing approach with the new descriptor provides an efficient and rapid platform for discovering novel topological insulators in half-Heusler materials.
- This method accelerates materials discovery and expands the known landscape of potential TIs.
