Opening the Bandgap of Metallic Half-Heuslers via the Introduction of d-d Orbital Interactions.
Adv Sci (Weinh)
; 10(23): e2302086, 2023 Aug.
Article
in En
| MEDLINE
| ID: mdl-37271926
ABSTRACT
Half-Heusler compounds with semiconducting behavior have been developed as high-performance thermoelectric materials for power generation. Many half-Heusler compounds also exhibit metallic behavior without a bandgap and thus inferior thermoelectric performance. Here, taking metallic half-Heusler MgNiSb as an example, a bandgap opening strategy is proposed by introducing the d-d orbital interactions, which enables the opening of the bandgap and the improvement of the thermoelectric performance. The width of the bandgap can be engineered by tuning the strength of the d-d orbital interactions. The conduction type and the carrier density can also be modulated in the Mg1- x Tix NiSb system. Both improved n-type and p-type thermoelectric properties are realized, which are much higher than that of the metallic MgNiSb. The proposed bandgap opening strategy can be employed to design and develop new half-Heusler semiconductors for functional and energy applications.
Full text:
1
Collection:
01-internacional
Database:
MEDLINE
Language:
En
Journal:
Adv Sci (Weinh)
Year:
2023
Document type:
Article
Affiliation country:
China