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This paper deals with a significant family of compounds predicted by simplistic electronic structure theory to be metals but are, in fact, insulators. This false metallic state has been traditionally attributed in the literature to reflect the absence of proper treatment of electron-electron correlation (Mott insulators) whereas, in fact, even mean-field like density functional theory describes the insulating phase correctly if the restrictions posed on the simplistic theory are avoided. Such unwarranted restrictions included different forms of disallowing symmetry breaking described in this article. As science and technology of conductors have transitioned from studying simple elemental metals such as Al or Cu to compound conductors such as binary or ternary oxides and pnictides, a special class of degenerate but gapped metals has been noticed. Their presumed electronic configurations show the Fermi level inside the conduction band or valence band, yet there is an internal band gap between the principal band edges. The significance of this electronic configuration is that it might be unstable towards the formation of states inside the internal band gap when the formation of such states costs less energy than the energy gained by transferring carriers from the conduction band to these lower energy acceptor states, changing the original (false) metal to an insulator.
With a generic lattice model for electrons occupying a semi-infinite crystal with a hard surface, we study the eigenstates of the system with a bulk band gap (or the gap with nodal points). The exact solution to the wave functions of scattering state
Within this paper we outline a method able to generate truly minimal basis sets which describe either a group of bands, a band, or even just the occupied part of a band accurately. These basis sets are the so-called NMTOs, Muffin Tin Orbitals of orde
Electronic stopping of H and He ions in metals and insulators is analyzed at velocities below 0.2 atomic units, i.e. below 1 keV for H and below 4 keV for He. In metals, stopping of H ions is affected by d-electrons only when the d-band extends up to
Recently published discoveries of acoustic and optical mode inversion in the phonon spectrum of certain metals became the first realistic example of non-interacting topological bosonic excitations in existing materials. However, the observable physic
We study a dual flavor fermion model where each of the flavors form a Sachdev-Ye-Kitaev (SYK) system with arbitrary and possibly distinct $q$-body interactions. The crucial new element is an arbitrary all-to-all $r$-body interaction between the two f