The AiiDA-KKR Plugin and Its Application to High-Throughput Impurity Embedding into a Topological Insulator
npj computational materials（2021）
关键词
Electronic structure,Surfaces,interfaces and thin films,Topological insulators,Materials Science,general,Characterization and Evaluation of Materials,Mathematical and Computational Engineering,Theoretical,Mathematical and Computational Physics,Computational Intelligence,Mathematical Modeling and Industrial Mathematics
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