| Autor: |
Prutthipong Tsuppayakorn-aek, Prayoonsak Pluengphon, Piya Phansuke, Burapat Inceesungvorn, Wutthikrai Busayaporn, Pungtip Kaewtubtim, Thiti Bovornratanaraks |
| Jazyk: |
angličtina |
| Rok vydání: |
2021 |
| Předmět: |
|
| Zdroj: |
Scientific Reports, Vol 11, Iss 1, Pp 1-7 (2021) |
| Druh dokumentu: |
article |
| ISSN: |
2045-2322 |
| DOI: |
10.1038/s41598-021-94000-2 |
| Popis: |
Abstract By means of first-principles cluster expansion, anisotropic superconductivity in the transition metal dichalcogenide Nb(Se $$_{x}$$ x S $$_{1-x}$$ 1 - x ) $$_{2}$$ 2 forming a van der Waals (vdW) layered structure is observed theoretically. We show that the Nb(Se $$_{0.5}$$ 0.5 S $$_{0.5}$$ 0.5 ) $$_{2}$$ 2 vdW-layered structure exhibits minimum ground-state energy. The Pnnm structure is more thermodynamically stable when compared to the 2H–NbSe $$_{2}$$ 2 and 2H–NbS $$_{2}$$ 2 structures. The characteristics of its phonon dispersions confirm its dynamical stability. According to electronic properties, i.e., electronic band structure, density of states, and Fermi surface indicate metallicity of Nb(Se $$_{0.5}$$ 0.5 S $$_{0.5}$$ 0.5 ) $$_{2}$$ 2 . The corresponding superconductivity is then investigated through the Eliashberg spectral function, which gives rise to a superconducting transition temperature of 14.5 K. This proposes a remarkable improvement of superconductivity in this transition metal dichalcogenide. |
| Databáze: |
Directory of Open Access Journals |
| Externí odkaz: |
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