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High-Throughput Computational Search for Half-Metallic Oxides
The article describes a high-throughput computational search for half-metallic compounds. The analysis of calculated electronic properties of thousands of materials from the inorganic crystal structure database allowed the authors to identify potential half metals. They found over two-hundred strong half-metallic oxides; several of them have never been reported before.
Date:
April 25, 2020
Creator:
Liyanage, Laalitha S. I.; Slawińska, Jagoda; Gopal, Priya; Curtarolo, Stefano; Fornari, Marco & Buongiorno Nardelli, Marco
System:
The UNT Digital Library