Stability and superconductivity of Ca-intercalated bilayer blue phosphorene

Literature Information

Publication Date 2021-01-05
DOI 10.1039/D0CP05984F
Impact Factor 3.676
Authors

Artur P. Durajski, Kamil M. Skoczylas, Radosław Szczęśniak


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Abstract

Superconductivity attracts much attention in two-dimensional (2D) compounds due to their potential application in nano-superconducting devices. Inspired by a recent experiment reporting the superconducting state in twisted bilayer graphene, here, based on the first-principles density-functional theory complemented by the Eliashberg formalism, we have verified the stability and predicted superconductivity in Ca-intercalated bilayer blue phosphorene. The electron and phonon properties and electron–phonon coupling show that AA- and AA′-stacking orders of the phosphorene bilayer are dynamically stable and exhibit conventional phonon-mediated superconductivity with superconducting transition temperatures (Tc) of 11.63 K and 11.74 K, respectively. Furthermore, we study the temperature-dependence of the superconducting energy gap (Δ(T)) and specific heat difference (ΔC(T)). According to our calculations, we found that the dimensionless parameters relative to the Δ(0) and the ΔC(Tc) differ slightly from the values predicted by the Bardeen–Cooper–Schrieffer (BCS) theory. We expect that our findings will broaden the knowledge of 2D superconducting materials and may stimulate more efforts in this field.

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Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
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Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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