Ab initio investigation of electronic structure and optical properties of IrSn(4)

We have examined the electronic structure and optical properties of intermetallic IrSn(4) for three polymorphic modifications, α-IrSn(4), β-IrSn(4), and γ-IrSn(4), utilizing the first-principles PAW-PBEsol-GGA and FP-LAPW-LSDA methods. The obtained electronic structure data reveal clear-cut differen...

Descripción completa

Detalles Bibliográficos
Autores principales: Mai, Thi Ly, Tran, Vinh Hung
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2022
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9201700/
https://www.ncbi.nlm.nih.gov/pubmed/35765344
http://dx.doi.org/10.1039/d2ra01672a
Descripción
Sumario:We have examined the electronic structure and optical properties of intermetallic IrSn(4) for three polymorphic modifications, α-IrSn(4), β-IrSn(4), and γ-IrSn(4), utilizing the first-principles PAW-PBEsol-GGA and FP-LAPW-LSDA methods. The obtained electronic structure data reveal clear-cut differences between α-IrSn(4) and the remaining morphs. This observation may be used to explain the appearance of superconductivity in β-IrSn(4), and also provides reasonable grounds to suspect eventual superconductivity in γ-IrSn(4). Therefore, it is highly desirable to carry out extended measurements on γ-IrSn(4) at lower temperatures.

Ejemplares similares