Understanding Antiferromagnetic Coupling in Lead-Free Halide Double Perovskite Semiconductors.
J Phys Chem C Nanomater Interfaces
; 128(12): 5313-5320, 2024 Mar 28.
Article
em En
| MEDLINE
| ID: mdl-38567374
ABSTRACT
Solution-processable semiconductors with antiferromagnetic (AFM) order are attractive for future spintronics and information storage technology. Halide perovskites containing magnetic ions have emerged as multifunctional materials, demonstrating a cross-link between structural, optical, electrical, and magnetic properties. However, stable optoelectronic halide perovskites that are antiferromagnetic remain sparse, and the critical design rules to optimize magnetic coupling still must be developed. Here, we combine the complementary magnetometry and electron-spin-resonance experiments, together with first-principles calculations to study the antiferromagnetic coupling in stable Cs2(AgNa)FeCl6 bulk semiconductor alloys grown by the hydrothermal method. We show the importance of nonmagnetic monovalence ions at the BI site (Na/Ag) in facilitating the superexchange interaction via orbital hybridization, offering the tunability of the Curie-Weiss parameters between -27 and -210 K, with a potential to promote magnetic frustration via alloying the nonmagnetic BI site (AgNa ratio). Combining our experimental evidence with first-principles calculations, we draw a cohesive picture of the material design for B-site-ordered antiferromagnetic halide double perovskites.
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MEDLINE
Idioma:
En
Revista:
J Phys Chem C Nanomater Interfaces
Ano de publicação:
2024
Tipo de documento:
Article
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Suécia