107 research outputs found
Fermi Surface Nesting and the Origin of the Charge Density Wave in NbSe
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.Comment: Replacement of Table II values, minor changes to tex
Crystal structure and electrical resistivity of MoS2-NbS2 alloys produced by self-propagating high-temperature synthesis
Contact characteristics of silver-graphite-refractory metal selenides composite materials
Donor-Stabilized Silyl Cations. 12. Electrochemical Evidence for Ionic . Dissociation of Hexacoordinate Silicon Complexes.
International audienc
Hypercoordinate Silicon Complexes Based on Hydrazide Ligands. A Remarkably Flexible Molecular System
Concentration dependence of the rate of prototropic rearrangement of azoles in hexamethylphosphoric triamide
Reaction of o-trimethylsilyl derivatives of 2-acylhydrazines with dimethyl(chloromethyl)chlorosilane
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