2007/10/18 by S. Kuroiwa, Sogo Kuroiwa, A. Nakashima +7 · 3 citations
Engineering · Physics and Astronomy · #Anisotropy #Brillouin zone #Buckling #Electronic structure #Fermi level #Hexagonal crystal system #Intermetallics and Advanced Alloy Properties #Semiconductor materials and interfaces #Stacking #Superconductivity in MgB2 and Alloys #Superstructure #cond-mat.supr-con
paper · pdf · doi:10.1143/jpsj.76.113705
4 pages, 4 figures, to be published in J. Phys. Soc. Jpn
arxiv created 2007/10/18 · openalex publication_date 2007/11/12 · arxiv updated 2009/12/01 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05
The full-potential linear augmented plane-wave calculations have been applied to investigate the systematic change of electronic structures in CaAlSi due to different stacking sequences of AlSi layers. The present ab-initio calculations have revealed that the multistacking, buckling and 60 degrees rotation of AlSi layer affect the electronic band structure in this system. In particular, such a structural perturbation gives rise to the disconnected and cylindrical Fermi surface along the M-L lines of the hexagonal Brillouin zone. This means that multistacked CaAlSi with the buckling AlSi layers increases degree of two-dimensional electronic characters, and it gives us qualitative understanding for the quite different upper critical field anisotropy between specimens with and without superstructure as reported previously.