Electronic and magnetic states of γ-Fe
Received 8 March 1991, Revised 2 April 1991, Available online 31 July 2002.
Abstract
The electronic and magnetic structure of fcc (γ-)Fe is determined using the local spin-density functional approximation and the ASW method to solve the band-structure problem self-consistently. The calculations reveal that the detailed nature of the ground state of γ-Fe depends sensitively on the volume but quite unambigously consists of a spiral magnetic structure that is incommensurate with the lattice, in agreement with recent neutron-diffraction experiments. We give, in some detail, the theory necessary to implement the calculations. The noncollinear spin arrangement is described using for the spiral vector q a wide range of values that continuously cover ferromagnetic and antiferromagnetic configurations. The stability of the structure having minimum total energy is related to band-structure features and we emphasize the occurence of multiple magnetic states, which we study using a “constrained-moments” method.
Hello, my name is Dr Abderrahmane Reggad. I'm a 51 year old and I am a researcher in materials' sciences.
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