Combining the One-Atom (OA) theory with Debye-Gruneisen model, adopting the lattice stability parameters determined by CALPHAD
method, the temperature dependences of the atom states, atomic potentials and vibrating energies, atomic volumes, bulk moduli and linear thermal expansion coefficients of fcc- and metastable hcp- and bcc-Cu metals in SGTE database of pure elements have been studied, and the results show that the calculated
electronic structure is accordant with that of first principles; the electronic structures of fcc-, hcp- and bcc-Cu are very close and the single bond radii of them are very close as well; the order of atomic volumes of them is Va(bcc)>Va(hcp)>Va(fcc), that of concentration of covalent electrons is nc(fcc)>nc(hcp)>nc(bcc), that of atomic potential energies is εp(fcc)<εp(hcp)<εp(bcc), and so the lattice stability is △G(fcc)>△G(hcp)>△G(bcc); the increasing amplitude of atomic vibrating energy is 2 to 3 times higher than that of potential energy during the elevation of temperature.