Effect of substitution on the superconducting phase of transition metal dichalcogenide Nb(Se $$_{x}$$ x S $$_{1-x}$$ 1 - x ) $$_{2}$$ 2 van der Waals layered structure
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 $$_{0.5}$$...
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2021
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oai:doaj.org-article:dea246eecf234f63bc8e71b6041ab2ae2021-12-02T16:06:42ZEffect of substitution on the superconducting phase of transition metal dichalcogenide Nb(Se $$_{x}$$ x S $$_{1-x}$$ 1 - x ) $$_{2}$$ 2 van der Waals layered structure10.1038/s41598-021-94000-22045-2322https://doaj.org/article/dea246eecf234f63bc8e71b6041ab2ae2021-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-94000-2https://doaj.org/toc/2045-2322Abstract 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.Prutthipong Tsuppayakorn-aekPrayoonsak PluengphonPiya PhansukeBurapat InceesungvornWutthikrai BusayapornPungtip KaewtubtimThiti BovornratanaraksNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-7 (2021) |
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Medicine R Science Q |
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Medicine R Science Q Prutthipong Tsuppayakorn-aek Prayoonsak Pluengphon Piya Phansuke Burapat Inceesungvorn Wutthikrai Busayaporn Pungtip Kaewtubtim Thiti Bovornratanaraks Effect of substitution on the superconducting phase of transition metal dichalcogenide Nb(Se $$_{x}$$ x S $$_{1-x}$$ 1 - x ) $$_{2}$$ 2 van der Waals layered structure |
| description |
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. |
| format |
article |
| author |
Prutthipong Tsuppayakorn-aek Prayoonsak Pluengphon Piya Phansuke Burapat Inceesungvorn Wutthikrai Busayaporn Pungtip Kaewtubtim Thiti Bovornratanaraks |
| author_facet |
Prutthipong Tsuppayakorn-aek Prayoonsak Pluengphon Piya Phansuke Burapat Inceesungvorn Wutthikrai Busayaporn Pungtip Kaewtubtim Thiti Bovornratanaraks |
| author_sort |
Prutthipong Tsuppayakorn-aek |
| title |
Effect of substitution on the superconducting phase of transition metal dichalcogenide Nb(Se $$_{x}$$ x S $$_{1-x}$$ 1 - x ) $$_{2}$$ 2 van der Waals layered structure |
| title_short |
Effect of substitution on the superconducting phase of transition metal dichalcogenide Nb(Se $$_{x}$$ x S $$_{1-x}$$ 1 - x ) $$_{2}$$ 2 van der Waals layered structure |
| title_full |
Effect of substitution on the superconducting phase of transition metal dichalcogenide Nb(Se $$_{x}$$ x S $$_{1-x}$$ 1 - x ) $$_{2}$$ 2 van der Waals layered structure |
| title_fullStr |
Effect of substitution on the superconducting phase of transition metal dichalcogenide Nb(Se $$_{x}$$ x S $$_{1-x}$$ 1 - x ) $$_{2}$$ 2 van der Waals layered structure |
| title_full_unstemmed |
Effect of substitution on the superconducting phase of transition metal dichalcogenide Nb(Se $$_{x}$$ x S $$_{1-x}$$ 1 - x ) $$_{2}$$ 2 van der Waals layered structure |
| title_sort |
effect of substitution on the superconducting phase of transition metal dichalcogenide nb(se $$_{x}$$ x s $$_{1-x}$$ 1 - x ) $$_{2}$$ 2 van der waals layered structure |
| publisher |
Nature Portfolio |
| publishDate |
2021 |
| url |
https://doaj.org/article/dea246eecf234f63bc8e71b6041ab2ae |
| work_keys_str_mv |
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