Antiferromagnetic and ferromagnetic gamma-manganese generalisation of the fixed-spin-moment method
✍ Scribed by H. Duschanek; P. Mohn; K. Schwarz
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 288 KB
- Volume
- 161
- Category
- Article
- ISSN
- 0921-4526
No coin nor oath required. For personal study only.
✦ Synopsis
We present ab initio band structure calculations for the magnetic and nonmagnetic y and 6 phases of manganese. Paramagnetic, f&romagnetic and antiferromagnetic spin ordering as well as the tetragonal distortion of the y 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. y-Mn is found to order antiferromagnetically, the tetragonal distortion of the lattice is driven by the formation of antiparallel spin alignment.