Giant density-of-states van Hove singularities in the face-centered cubic lattice

Abstract

All van Hove singularities in the density of states (DOS) of face-centered cubic lattice in the nearest and next-nearest neighbour approximation, focusing on higher-order ones, are found and classified. At special values of the ratio $\tau$ of nearest and next-nearest neighbour hopping integrals, $t$ and $t^{\prime }$, giant DOS singularities, caused by van Hove lines or surfaces, are formed. An exact formula for DOS which provides efficient numerical implementation is proposed. The standard tetrahedron method is demonstrated to be inapplicable due to its poor convergence in the vicinity of kinks caused by van Hove singularities. A comparison with the case of large space dimensionality (infinite coordination number) including next-nearest neighbours is performed.

7 pages

References in corpus (6)

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• Linear-Temperature Dependence of Static Magnetic Susceptibility in LaFeAsO from Dynamical Mean-Field Theory
• Enhanced thermoelectric performance by van Hove singularities in the density of states of type-II nodal-line semimetals
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Cited by in corpus (4)

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• Ferromagnetic instability in itinerant fcc lattice electron systems with higher order van Hove singularities: Functional renormalization group study
• Itinerant electron metamagnetism for lattices with van Hove density-of-states singularities near the Fermi level