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Electronic, optical and thermoelectric properties of Fe(2)ZrP compound determined via first-principles calculations
In this study, based on the density functional theory and semi-classical Boltzmann transport theory, we investigated the structural, thermoelectric, optical and phononic properties of the Fe(2)ZrP compound. The results of the electronic band structure analysis indicate that Fe(2)ZrP is an indirect b...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
The Royal Society of Chemistry
2019
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9070009/ https://www.ncbi.nlm.nih.gov/pubmed/35530110 http://dx.doi.org/10.1039/c9ra04736k |