Antiferromagnetic and ferromagnetic gamma-manganese generalisation of the fixed-spin-moment method
Available online 9 August 2002.
Abstract
We present ab initio band structure calculations for the magnetic and nonmagnetic γ and δ phases of manganese. Paramagnetic, ferromagnetic and antiferromagnetic spin ordering as well as the tetragonal distortion of the γ phase are taken into account. The relative stability of these different modifications is studied by total energy as a function of volume. The fixed spin moment (FSM) method is generalised to calculate the energy surface of the antiferromagnetic phase. γ-Mn is found to order antiferromagnetically, the tetragonal distortion of the lattice is driven by the formation of antiparallel spin alignment.
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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