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Real-space anisotropy of the superconducting gap in the charge-density wave material 2H-NbSe2

TLDR
In this paper , a scanning tunneling microscopy (STM) and ab-initio study of the anisotropic superconductivity of 2H-NbSe 2 in the charge-density-wave (CDW) phase is presented.
Abstract
Abstract We present a scanning tunneling microscopy (STM) and ab-initio study of the anisotropic superconductivity of 2H-NbSe 2 in the charge-density-wave (CDW) phase. Differential-conductance spectra show a clear double-peak structure, which is well reproduced by density functional theory simulations enabling full k - and real-space resolution of the superconducting gap. The hollow-centered (HC) and chalcogen-centered (CC) CDW patterns observed in the experiment are mapped onto separate van der Waals layers with different electronic properties. We identify the CC layer as the high-gap region responsible for the main STM peak. Remarkably, this region belongs to the same Fermi surface sheet that is broken by the CDW gap opening. Simulations reveal a highly anisotropic distribution of the superconducting gap within single Fermi sheets, setting aside the proposed scenario of a two-gap superconductivity. Our results point to a spatially localized competition between superconductivity and CDW involving the HC regions of the crystal.

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Two-bands Ising superconductivity from Coulomb interactions in monolayer NbSe2

TL;DR: In this paper , the two distinct superconducting gaps, one for each spin-orbit split band, consist of a mixture of s-wave and f-wave components and their different amplitudes are due to the difference between the normal densities of states of the two bands at the Fermi level.
Journal ArticleDOI

Electron-phonon coupling and spin fluctuations in the Ising superconductor NbSe_2

TL;DR: In this article , first principle calculations of the EPC and also estimate coupling with spin fluctuations, including full momentum dependence, were reported, showing that EPC is strongly anisotropic, largely coming from the $$K-{K}^{{\prime} }$$.
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Effects of 3 MeV Proton Irradiation on Superconductivity and CDW in 2H-NbSe2 Single Crystals

TL;DR: In this article , the role of superconductivity and charge-density wave (CDW) in 2H-NbSe2 single crystals irradiated by 3 MeV protons is studied.
Journal ArticleDOI

Effects of 3 MeV Proton Irradiation on Superconductivity and CDW in 2<i>H</i>-NbSe<sub>2</sub> Single Crystals

TL;DR: In this paper , the role of superconductivity and charge-density wave (CDW) in 2H-NbSe2 single crystals irradiated by 3 MeV protons is studied.

Sampling the Whole Materials Space for Conventional Superconducting Materials

TL;DR: In this article , a large scale study of conventional superconducting materials using a machine-learning accelerated high-throughput workflow is performed, where the transition temperature (Tc ) of approximately 200,000 metallic compounds is evaluated.
References
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Self-interaction correction to density-functional approximations for many-electron systems

TL;DR: In this paper, the self-interaction correction (SIC) of any density functional for the ground-state energy is discussed. But the exact density functional is strictly selfinteraction-free (i.e., orbitals demonstrably do not selfinteract), but many approximations to it, including the local spin-density (LSD) approximation for exchange and correlation, are not.
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Phonons and related crystal properties from density-functional perturbation theory

TL;DR: In this paper, the current status of lattice-dynamical calculations in crystals, using density-functional perturbation theory, with emphasis on the plane-wave pseudopotential method, is reviewed.
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Trending Questions (1)
How does the supercarrier density vary across the two superconducting bands of 2H-NbSe?

The supercarrier density varies anisotropically across the two superconducting bands of 2H-NbSe2, showing a spatially localized competition between superconductivity and charge-density wave.