Band Theory of Antiferromagnetic Chromium

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The band structures of Cr in the paramagnetic- and the perfect antiferromagnetic state are evaluated by the Green’s function method. In the former the crystal potential is set up by the self-consistent procedure proposed by Wakoh, while the alternant orbital theory of Slater is applied to the latter. The spin-dependent part of the potential is determined by the Slater exchange with an adjustable parameter which is determined so as to give an observable value of the magnetic moment. The Fermi surfaces of both the states are calculated. The induced magnetic moment, the electronic specific heat and the magnetic form factor are also evaluated. The agreement between theory and experiment seems to be satisfactory. The stability of the perfect antiferromagnetic state against the paramagnetic state is discussed on the basis of the effective Hamiltonian. Finally, the stability of the spin-density-wave state in Cr is ascribed to the special band structure of Cr.

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