Tight-binding modelling of ferromagnetic metals and alloys

Tight-binding molecular-dynamics study of ferromagnetic clusters

A minimal parameter tight-binding molecular-dynamics scheme incorporating a Hubbard Hamiltonian for the treatment of magnetic effects is detailed. The computational efficiency of the scheme allows applications to cluster sizes well beyond the range of ab initio techniques. The method is used to obtain magnetic moments of Ni, Fe, and Co clusters in excellent agreement with experiment. @S0163-182...

A Minimal tight-binding model for ferromagnetic canted bilayer manganites

Half-metallicity in materials has been a subject of extensive research due to its potential for applications in spintronics. Ferromagnetic manganites have been seen as a good candidate, and aside from a small minority-spin pocket observed in La(2-2x)Sr(1+2x)Mn(2)O(7) (x = 0.38), transport measurements show that ferromagnetic manganites essentially behave like half metals. Here we develop robust...

Approximate bandstructures of semiconductor alloys from tight-binding supercell calculations

Alloys such as AlGaAs, InGaAs, and SiGe find widespread usage in nanoelectronic devices such as quantum dots and nanowires. For these devices, in which the carriers probe nanometre-scale local disorder, the commonly employed virtual crystal approximation (VCA) is inadequate. Although the VCA produces small-cell E(k) relations it fails to include local disorder. In contrast, random-alloy superce...

Advanced Metals and Alloys

Electrodeposition of Metals and Alloys

Tremendous potential exists for the growth of metal finishing industry in this century through the development of processes that are either environmentally friendly or are applicable at the nano scale. In the CEE the theoretical and experimental studies are performed to achieve such coatings. Nanostructured alloys and innovative composite materials were developed through adaptation of existing ...