Theoretical search for superconductivity in Sc3XB perovskites and weak ferromagnetism in Sc3X (X = Tl, In, Ga, Al)

Abstract

A possibility for a new family of intermetallic perovskite superconductors Sc3XB, with X = Tl, In, Ga and Al, is presented as a result of KKR electronic structure and pseudopotential phonon calculations. The large values of computed McMillan--Hopfield parameters on scandium suggest appearance of superconductivity in Sc3XB compounds. On the other hand, the possibility of weak itinerant ferromagnetic behavior of Sc3X systems is indicated by the small magnetic moment on Sc atoms in two cases of X =~ l and In. Also the electronic structure and resulting superconducting parameters for more realistic case of boron--deficient systems Sc3XB_x are computed using KKR--CPA method, by replacing boron atom with a vacancy. The comparison of the calculated McMillan--Hopfield parameters of the Sc3XB series with corresponding values in MgCNi3 and YRh3B superconductors is given, finding the favorable trends for superconductivity.

13 pages, 13 figures. v3 - revised

References in corpus (1)

• The role of carbon for superconductivity in MgC${}_x$Ni${}_3$ from specific heat

Cited by in corpus (8)

• Pressure effects on the superconductivity of HfPd2Al Heusler compound: Experimental and theoretical study
• Superconductivity of Mo3Sb7 from first principles
• Superconductivity near the Mott-Ioffe-Regel limit in the high-entropy alloy superconductor (ScZrNb)${}_{1-x}$(RhPd)${}_x$ with a CsCl-type lattice
• Local distortions of the crystal structure and their influence on the electronic structure and superconductivity of the high-entropy alloy (TaNb)0.67(HfZrTi)0.33
• Effect of the tetragonal distortion on the electronic structure, phonons and superconductivity in the Mo3Sb7 superconductor
• Electronic structure, magnetism and spin fluctuations in the superconducting weak ferromagnet Y4Co3
• Crystal growth and characterization of the antiperovskite superconductor MgC1-xNi3-y
• The effect of Ni doping on the electronic structure and superconductivity in the noncentrosymmetric ThCoC2