Fermi Surface Nesting and the Origin of the Charge Density Wave in NbSe${}_2$

Abstract

We use highly accurate density functional calculations to study the band structure and Fermi surfaces of NbSe2. We calculate the real part of the non-interacting susceptibility, Re chi_0(q), which is the relevant quantity for a charge density wave (CDW) instability and the imaginary part, Im chi_0(q), which directly shows Fermi surface (FS) nesting. We show that there are very weak peaks in Re chi_0(q) near the CDW wave vector, but that no such peaks are visible in Im chi_0(q), definitively eliminating FS nesting as a factor in CDW formation. Because the peak in Re chi_0(q) is broad and shallow, it is unlikely to be the direct cause of the CDW instability. We briefly address the possibility that electron-electron interactions (local field effects) produce additional structure in the total (renormalized) susceptibility, and we discuss the role of electron-ion matrix elements.

Replacement of Table II values, minor changes to text

References in corpus (3)

• Quasi-Particle Spectra, Charge-Density-Wave, Superconductivity and Electron-Phonon Coupling in 2H-NbSe2
• Fermi surface induced lattice distortion in NbTe${}_2$
• Coexistence of gapless excitations and commensurate charge-density wave in the 2H-transition metal dichalcogenides

Cited by in corpus (146)

• Evidence of Ising pairing in superconducting NbSe${}_2$ atomic layers
• Characterization of collective ground states in single-layer NbSe2
• Fermi surface nesting and the origin of Charge Density Waves in metals
• Highly crystalline 2D superconductors
• Anharmonic free energies and phonon dispersions from the stochastic self-consistent harmonic approximation: application to platinum and palladium hydrides
• Classification of Charge Density Waves Based on Their Nature
• Extended Phonon Collapse and the Origin of the Charge-Density-Wave in NbSe${}_2$
• Effect of dimensionality on the charge-density-wave in few-layers 2H-NbSe${}_2$
• Superconducting density of states and vortex cores of 2H-NbS2
• Two energy gaps and Fermi surface 'arcs' in NbSe2
• Charge density wave and superconducting dome in TiSe2 from electron-phonon interaction
• ARPES Study of the Evolution of Band Structure and Charge Density Wave Properties in RTe3 for R = Y, La, Ce, Sm, Gd, Tb and Dy
• A quantum phase transition from triangular to stripe charge order in NbSe${}_2$
• Unique gap structure and symmetry of the charge density wave in single-layer VSe${}_2$
• Tuning the Charge Density Wave and Superconductivity in CuxTaS2
• Origin of superconductivity and latent charge density wave in NbS${}_2$
• Strong enhancement of superconductivity at high pressures within the charge-density-wave states of 2H-TaS 2 and 2H-TaSe 2
• Penetration depth study of superconducting gap structure of 2\textit{H}-NbSe${}_2$
• Spin-valley locking in the normal state of a transition-metal dichalocogenide superconductor
• Imaging superconducting vortex core and lattice with the scanning tunneling microscope
• Strong anharmonicity induces quantum melting of charge density wave in 2H-NbSe$\_2$ under pressure
• Workhorse minimally-empirical dispersion-corrected density functional, with tests for weakly-bound systems: r${}^2$SCAN+rVV10
• Spectroscopy of bulk and few-layer superconducting NbSe${}_2$ with van der Waals tunnel junctions
• Electron-phonon coupling in the charge density wave state of CsV${}_3$Sb${}_5$
• Nature of charge density waves and superconductivity in 1\emph{T}-TaSe${}_{2-x}$Te${}_x$
• Fermi surface nesting in several transition metal dichalcogenides
• Charge Order from Orbital-dependent Coupling Evidenced by NbSe${}_2$
• Disorder suppressed charge-density-wave and its origin in 1T-TaSe2-xTex
• Intrinsic atomic scale modulations of the superconducting gap of 2H-NbSe2
• First-principles calculations of phonon frequencies, lifetimes and spectral functions from weak to strong anharmonicity: the example of palladium hydrides
• Experimental evidence for a two-gap structure of superconducting NbSe_2: a specific heat study in external magnetic fields
• Quasiparticle Interference, quasiparticle interactions and the origin of the charge density-wave in 2H-NbSe${}_2$
• Wave vector dependent electron-phonon coupling drives charge-density-wave formation in TbTe3
• Anharmonic suppression of Charge density wave in 2H-NbS${}_2$
• Composite Topological Excitations in Ferromagnet-Superconductor Heterostructures
• Charge density wave order in kagome metal AV${}_3$Sb${}_5$ (A= Cs, Rb, K)
• Ising superconductivity and magnetism in NbSe${}_2$
• Microscopic evidence for strong periodic lattice distortion in 2D charge-density wave systems
• Order parameter fluctuations at a buried quantum critical point
• Electronic structure of $2H$-NbSe${}_2$ single-layers in the CDW state
• Pressure dependence of superconducting critical temperature and upper critical field of 2H-NbS2
• Origin of the phase transition in IrTe2: structural modulation and local bonding instability
• Phonon dispersion and the competition between pairing and charge order
• Magnetic field dependence of the density of states in the multiband superconductor $\beta$-Bi${}_2$Pd
• Yu-Shiba-Rusinov states in the charge-density modulated superconductor NbSe2
• Manipulating charge-density-wave in $1T$-TaS${}_2$ by charge carrier doping: A first-principles investigation
• Primary role of the barely occupied states in the charge density wave formation of NbSe2
• Higgs-mode radiance and charge-density-wave order in 2H-NbSe${}_2$
• Specific-heat measurements of superconducting NbS2 single crystal in an external magnetic field: Study on the energy gap structure
• Crystalline Nodal Topological Superconductivity and Bogolyubov Fermi Surfaces in Monolayer NbSe${}_2$
• Impact of Electron-Hole Correlations on the 1T-TiSe2 Electronic Structure
• Optic phonons and the soft mode in 2H-NbSe2
• Coexistence of Superconductivity and Charge Density Wave in Tantalum Disulfide: Experiment and Theory
• Charge density waves in YBa${}_2$Cu${}_3$O${}_{6.67}$ probed by resonant x-ray scattering under uniaxial compression
• Chiral charge order in the superconductor 2H-TaS2
• The electronic structure of {\em R}NiC${}_2$ intermetallic compounds
• Charge density waves and phonon-electron coupling in ZrTe${}_3$ investigated by Raman spectroscopy and first-principles calculations
• Experimental evidence for a two-band superconducting state of NbSe2 single crystals
• Charge density wave instability and pressure-induced superconductivity in bulk 1T-NbS2
• Charge Order in NbSe${}_2$
• Phonon anomalies and dynamic stripes
• Isotope effect and bond-stretching phonon anomaly in high-Tc cuprates
• Tunable van Hove singularity without structural instability in Kagome metal CsTi${}_3$Bi${}_5$
• Effect of doping on lattice instabilities of single-layer 1H-TaS2
• Field dependence of the vortex core size probed by STM
• Superconducting Quantum Interference in Twisted van der Waals Heterostructures
• Vibrational and dielectric properties of the bulk transition metal dichalcogenides
• Yu-Shiba-Rusinov states of impurities in a triangular lattice of NbSe${}_2$ with spin orbit coupling
• Hierarchical stripe phases in IrTe2 driven by competition between Ir dimerization and Te bonding
• Electron-phonon coupling and pairing mechanism in $\beta$--Bi${}_2$Pd centrosymmetric superconductor
• Charge Density Wave Instability and Soft Phonon in $A$Pt${}_3$P ($A$=Ca, Sr, and La)
• Fermi surface reconstruction from bilayer charge ordering in the underdoped high temperature superconductor YBa2Cu3O6+x
• k-resolved susceptibility function of 2H-TaSe2 from angle-resolved photoemission
• Ab initio phonon self-energies and fluctuation diagnostics of phonon anomalies: Lattice instabilities from Dirac pseudospin physics in transition metal dichalcogenides
• Spin density wave instabilities in the NbS2 monolayer
• Phonons and electron-phonon coupling in the phonon-mediated superconductor YNi2B2C
• The effect of Sn intercalation on the superconducting properties of 2H-NbSe2
• Spectroscopic signature of the $\mathbf{k}$-dependent electron-phonon coupling in $2H$-TaS${}_2$
• Quasiparticle energy bands and Fermi surfaces of monolayer NbSe${}_2$
• Strain-induced stripe phase in charge ordered single layer NbSe${}_2$
• Tilted vortex cores and superconducting gap anisotropy in 2H-NbSe2
• Phonon dispersions and Fermi surfaces nesting explaining the variety of charge ordering in titanium-oxypnictides superconductors
• Effect of Strain on Charge Density Wave Order in the Holstein Model
• Dynamical renormalization of electron-phonon coupling in conventional superconductors
• Fermiology and electron-phonon coupling in the 2H and 3R polytypes of NbS${}_2$
• Experimental and Theoretical Electronic Structure and Symmetry Effects in Ultrathin NbSe2 Films
• Charge order above room-temperature in a prototypical kagome superconductor La(Ru${}_{1-x}$Fe${}_x$)${}_3$Si${}_2$
• Supercurrent on a vortex core in 2H-NbSe${}_2$: current driven scanning tunneling spectroscopy
• Strong-coupling charge density wave in a one-dimensional topological metal
• In-plane magnetic penetration depth in NbS${}_2$
• Ultrafast dynamics in normal and Charge Density Wave phase of 2H-NbSe2
• Multiple Charge Density Wave States at the Surface of TbTe${}_3$
• Quantum phase transition in few-layer NbSe${}_2$ probed through quantized conductance fluctuations
• Unveiling hidden charge density waves in single-layer NbSe${}_2$ by impurities
• Evidence for the band broadening across the ferromagnetic transition in Cr${}_{1/3}$NbSe${}_2$
• Dimensional crossover and symmetry transformation of the charge density waves in VSe2
• Unidirectional Kondo scattering in layered NbS2
• Orbital-selective spin waves in detwinned NaFeAs
• Non-uniform doping across the Fermi surface of NbS${}_2$ intercalates
• Soft vibrational mode associated with incommensurate orbital order in multiferroic CaMn${}_7$O${}_{12}$
• Revealing the two-dimensional electronic structure and anisotropic superconductivity in a natural van der Waals superlattice (PbSe)${}_{1.14}$NbSe${}_2$
• Interplay between multiple charge-density waves and the relationship with superconductivity in Pd${}_x$HoTe${}_3$
• Electron-energy-loss and time-dependent density functional theory study on the plasmon dispersion in 2H-NbS2
• Electron correlations rule the phonon-driven instability in single layer TiSe${}_2$
• Magnetic field-induced gapless state in multiband superconductors
• Tuning Superconductivity and Charge Density Wave Order in 2H-TaSe2 by Modulating the Van Hove Singularity
• Origin of Charge Density Wave in Topological Semimetals SrAl4 and EuAl4
• Ising superconductivity: a first-principles perspective
• Electron-phonon driven charge density wave in CuTe
• Thermal hysteretic behavior and negative magnetoresistance in an unusual charge-density-wave material EuTe4
• Electrically pumped h-BN single-photon emission in van der Waals heterostructure
• Charge-Density-Wave Order in 2H-NbSe${}_2$
• Superconducting energy gap of $2H$-NbSe${}_2$ in phonon spectroscopy
• Competition between Ta-Ta and Te-Te bonding leading to the commensurate charge density wave in TaTe4
• Charge Density Waves and the Effects of Uniaxial Strain on the Electronic Structure of 2H-NbSe${}_2$
• Magnetism in AV3Sb5 (Cs, Rb, K): Origin and Consequences for the Strongly Correlated Phases
• Electron-momentum dependence of electron-phonon coupling underlies dramatic phonon renormalization in YNi${}_2$B${}_2$C
• Electron-phonon coupling, critical temperatures and gaps in $\mathrm{NbS}{\mathrm{e}}_2$/$\mathrm{Mo}{\mathrm{S}}_2$ Ising Superconductors
• Unusual Low-Energy Collective Charge Excitations in High-$T_c$ Cuprate Superconductors
• Moiré Superstructures in Marginally-Twisted NbSe${}_2$ Bilayers
• In-plane Isotropy of the Low Energy Phonon Anomalies in YBa${}_2$Cu${}_3$O${}_{6+x}$
• Tunability of the magnetic properties in Ni intercalated transition metal dichalcogenide NbSe${}_2$
• Friedel oscillations and chiral superconductivity in monolayer NbSe${}_2$
• Ising superconductivity in noncentrosymmetric bulk NbSe2
• Electron-hole response function of transition metal trichalcogenides NbSe${}_3$ and monoclinic-TaS${}_3$
• Charge Density Wave Phase Transition on the Surface of Electrostatically Doped Multilayer Graphene
• Unconventional pairing in Ising superconductors: Application to monolayer NbSe${}_2$
• NMR evidence for a Peierls transition in the layered square-net compound LaAgSb${}_2$
• Dichotomy of saddle points in energy bands of a monolayer NbSe${}_2$
• S-shaped suppression of the superconducting transition temperature in Cu-intercalated NbSe2
• Role of interface hybridization on induced superconductivity in 1T${}^{\prime }$-WTe${}_2$ and 2H-NbSe${}_2$ heterostructures
• Influence of surface relaxations on scanning probe microscopy images of the charge density wave material 2H-NbSe${}_2$
• Linear Scaling of the Superfluid Density with the Critical Temperature in the Layered Superconductor 2H-NbSe_2
• Multimorphism and gap opening of charge-density-wave phases in monolayer VTe2
• Pressure-Induced Enhancement of Superfluid Density in Transition Metal Dichalcogenides with and without Charge Density Wave
• Charge-density-wave control by adatom manipulation and its effect on magnetic nanostructures
• The rich structural, electronic and bonding landscape of 1$T$-type TaTe${}_2$ single-layers
• Magnetic Frustration Enforced Electronic Reconstruction in Ni intercalated NbSe${}_2$: Suppression of Electronic Orders
• $H$-linear magnetoresistance in NbSe${}_2$ due to impeded cyclotron motion
• Multiband charge density wave exposed in a transition metal dichalcogenide
• Large Kohn anomaly and phonon collapse induced by charge density wave in UPt${}_2$Si${}_2$
• Machine learning model for efficient nonthermal tuning of the charge density wave in monolayer NbSe${}_2$
• Pressure induced evolution of anisotropic superconductivity and Fermi surface nesting in a ternary boride
• Density-wave tendency from a topological nodal-line perspective
• Interplay of charge density wave and multiband superconductivity in 2$H$-Pd${}_x$TaSe${}_2$
• Theoretical study of high harmonic generation in monolayer NbSe${}_2$