RESEARCH PAPER · Journal of Materials Chemistry A · 2025
Mapping the configuration space of half-Heusler compounds via subspace identification for thermoelectric materials discovery
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High throughput and machine learning approaches for thermoelectric materials
MRS Bulletin · 2025-08-01
Eric S. Toberer, Andrew C. Novick, Elif Ertekin
Read original paper ↗ ·Impact of spin–orbit coupling on structural, mechanical, electronic, thermoelectric and thermodynamic properties of VIr-based half-Heusler compounds: Ab initio study
Materials Today Communications · 2025-12-02
Fatima Sidjilani, Fadila Belkharroubi, Yarub Al-Douri, F. Hamdache, Friha Khelfaoui, H. Benaissa, Mokhtar Bourdim, Toufik Nouri, Samia Bahlouli, Sid Ahmed Bendella, Anis Samy Amine Dib
Read original paper ↗ ·First-principles characterization of the native defect landscape across ZrIrSb and related half-Heusler chemistries
Journal of Materials Chemistry C · 2026-01-01
Angela Pak, Elif Ertekin
Read original paper ↗ ·Continuous Alloying between Rocksalt and Half-Heusler Structures Drives Metal–Semiconductor Transition in ErNi x Sb
Chemistry of Materials · 2026-01-22
Maria Wróblewska, Angela Pak, Elif Ertekin, Eric S. Toberer, Kamil Ciesielski
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