Periodic Hartree-Fock Studies of Lithium(x) Itanium SULFUR(2) (x Less than or Equal to 1) and Lithium(x) CADMIUM(2) PHOSPHORUS(2) SULFUR(6) (x = 0, 1, 2, and 3

The structural and electronic properties of the intercalation compounds Li_{x}TiS_2, 0 <= x <= 1 and Li _{x}Cd_2 P_2S_6, x = 0, 1, 2 and 3 are investigated at the ab initio periodic Hartree-Fock level using a posteriori density functional correlation corrections to the total energy. The study of Li_{x}TiS _2 employs all-electron basis sets whereas a pseudopotential treatment is used in the Li _{x}Cd_2 P_2S_6 study. Calculated lattice parameters, bulk modulus, linear moduli, cohesive energy, elastic constants, band structure, density of states and Mulliken populations are reported. Emphasis is placed upon the changes in these properties due to lithium intercalation. In addition, the pressure induced semiconductor -to-semimetal phase transition in TiS_2 is investigated.