Fermi surface nesting and the origin of charge density waves in metals

Abstract

The concept of a charge density wave (CDW), which is induced by Fermi-surface nesting, originated from the Peierls idea of electronic instabilities in purely one-dimensional metals and is now often applied to charge ordering in real low-dimensional materials. The idea is that if Fermi surface contours coincide when shifted along the observed CDW wave vector, then the CDW is considered to be nesting derived. We show that, in most cases, this procedure has no predictive power, since Fermi surfaces either do not nest at the right wave vector or nest more strongly at the wrong vector. We argue that only a tiny fraction, if any, of the observed charge ordering phase transitions are true analogs of the Peierls instability because electronic instabilities are easily destroyed by even small deviations from perfect nesting conditions. By using prototypical CDW materials ${\text{NbSe}}_{2}$, ${\text{TaSe}}_{2}$, and ${\text{CeTe}}_{3}$, we show that such conditions are hardly ever fulfilled and that the CDW phases are actually structural phase transitions driven by the concerted action of electronic and ionic subsystems, i.e., a $\mathbf{q}$-dependent electron-phonon coupling plays an indispensable part. We also mathematically show that the original Peierls construction is so fragile that it is unlikely to apply to real materials. We argue that no meaningful distinction between a CDW and an incommensurate lattice transition exists.