  Based on high throughput density functional theory calculations, we performed
systematic screening for spin-gapless semiconductors (SGSs) in quaternary
Heusler alloys XX 0 YZ (X, X 0 , and Y are transition metal elements without
Tc, and Z is one of B, Al, Ga, In, Si, Ge, Sn, Pb, P, As, Sb, and Bi).
Following the empirical rule, we focused on compounds with 21, 26, or 28
valence electrons, resulting in 12, 000 possible chemical compositions. After
systematically evaluating the thermodynamic, mechanical, and dynamical
stabilities, we successfully identified 70 stable SGSs, confirmed by explicit
electronic structure calculations with proper magnetic ground states. It is
demonstrated that all four types of SGSs can be realized, defined based on the
spin characters of the bands around the Fermi energy, and the type-II SGSs show
promising transport properties for spintronic applications. The effect of
spin-orbit coupling is investigated, resulting in large anisotropic
magnetoresistance and anomalous Nernst effects.
