Calculation of Electronic Properties
of Paramagnetic CuNi Alloys Using APW Method
in the Virtual-Crystal Approximation

A. S. Karolik and V. M. Golub

Institute of Applied Physics, Belarussian Academy of Sciences, ul. Skoriny 16, Minsk, 220072 Belarus

Received August 2, 1995; in final form, August 15, 1996

Abstract—The density of electron states, electronic heat capacity (x), and the coefficient of absolute electron-
diffusion thermoelectric power S(x) were calculated as functions of concentration for disordered paramagnetic
Cu_1–xNi_x alloys in the Schoen’s virtual-crystal approximation using the augmented-plane-wave method. The
calculations were performed over the whole concentration range at 0.1 intervals. The non-self-consistent muffin-
tin potential was constructed based on the Rothaan–Hartree–Fock atomic wave functions and contained an
exchange correction that satisfied the virial theorem. The calculated results are compared with experimental data.

Pleiades Publishing home page | journal home page | top

If you have any problems with this server, contact webmaster.