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...
| Published in: | Crystals |
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| Main Authors: | , |
| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-09-01
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| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4352/13/9/1378 |