The augmented space formalism coupled with the recursion method and a tight-binding linear Muffin-tin orbitals basis has been applied to study the effects of roughness on the properties of (001) surfaces of body-centered cubic Fe and face-centered cubic Co and Ni. The formalism is also proposed for the study of smooth surface. Comparisons have been made for three types of surfaces: a smooth surface, the surface with a rough top layer, and a more realistic model with several rough top layers converging into a crystalline bulk. Comparisons have been made between the magnetic moments, work function and electronic density of states in the three models described above.
@article{arxiv.1504.07839,
title = {Magnetism on Rough Surfaces of Fe, Co and Ni : An Augmented Space Approach},
author = {Priyadarshini Parida and Biplab Ganguli and Abhijit Mookerjee},
journal= {arXiv preprint arXiv:1504.07839},
year = {2015}
}
Comments
16 pages, 9 figures, 6 tables. arXiv admin note: text overlap with arXiv:1410.3185