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High-Throughput Exploration of Half-Heusler Phases for Thermoelectric Applications

As a result of the high-throughput ab initiocalculations, the set of 34 stable and novel half-Heusler phases was revealed. The electronic structure and the elastic, transport, and thermoelectric properties of these systems were carefully investigated, providing some promising candidates for thermoel...

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Principais autores: Kaja Bilińska, Maciej J. Winiarski
格式: Artigo
語言:Inglês
出版: MDPI AG 2023-09-01
叢編:Crystals
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在線閱讀:https://www.mdpi.com/2073-4352/13/9/1378
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