The properties of CuxβTiSe2β are studied by band structure
calculation based on the density functional theory for supercells. The
density-of-states (DOS) for x=0 has a sharply raising shoulder in the
neighborhood of the Fermi energy, EFβ, which can be favorable for spacial
charge modulations. The Cu impurity adds electrons and brings the DOS shoulder
below EFβ. Hybridization makes the Ti-d DOS at EFβ, the electron-phonon
coupling and the Stoner factor very large. Strong pressure dependent properties
are predicted from the calculations, since the DOS shoulder is pushed to higher
energy at a reduced lattice constant. Effects of disorder are also expected to
be important because of the rapidly varying DOS near EFβ.Comment: 5 pages, 4 figures 2 table