2005/07/31 by Bartłomiej Wiendlocha, B. Wiendlocha, J. Toboła +2
Materials Science · Physics and Astronomy · #Rare-earth and actinide compounds #Superconductivity in MgB2 and Alloys #Thermal Expansion and Ionic Conductivity #cond-mat.supr-con
paper · pdf · doi:10.1103/physrevb.73.134522
published as Phys. Rev. B 73, 134522 (2006) · 13 pages, 13 figures. v3 - revised
arxiv created 2006/02/11 · openalex publication_date 2006/04/28 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
A possibility for an additional family of intermetallic perovskite superconductors Sc3XB, with X=Tl, In, Ga, and Al, is presented as a result of Korringa-Kohn-Rostoker (KKR) electronic structure and pseudopotential phonon calculations. The large values of computed McMillan-Hopfield parameters on scandium suggest the 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 the two cases of X=Tl and In. In addition, the electronic structure and resulting superconducting parameters for the realistic case of boron-deficient systems Sc3XBx are computed, using KKR method with the coherent potential approximation, by replacing boron atom with a vacancy. The comparison of the calculated McMillan-Hopfield parameters of the Sc3XB series with corresponding values in related MgCNi3 and YRh3B superconductors is also shown, finding favorable trends for superconductivity.