The stability and thermodynamic behaviour of spin-density waves I. Hartree-Fock theory

Abstract

A detailed investigation has been made of the application of the Hartree-Fock approximation to the stability and thermodynamic behaviour of spin-density waves in a model with a single electronic energy band and a delta-function-type interaction between electrons. It is shown that for a half-filled band the ground state at zero temperature is always a spin-density wave, provided only that the width of the band is sufficiently small. For other bands the conditions for the relative stability of the spin-density wave, ferromagnetic and paramagnetic states are more complicated, and are studied in detail for a special band form. For a half-filled band the energy per atom and specific heat have been calculated as functions of temperature for the spin-density wave, ferromagnetic and paramagnetic states. The temperature dependence of the amplitude for the spin-density wave and ferromagnetic states, and of the entropy for the spin-density wave and paramagnetic states have also been calculated. The formulation of the problem has been made using a Green function method in order to allow the development in a later paper of a higher-order approximation to the correlation problem.