Ab-initio techniques, VASP and CASTEP, are used to investigate the electronic properties of B2 compounds formed between Ti and group VIII elements - a comparative study
Abstract:Cesium-chloride (CsCl) based intermetallic alloys that are formed between Ti and Group VIIIB and IB metals (Fe, Ni, Ru, Rh, Pd, Os Ir, Pt and Au) are currently explored for various potential applications as hydrogen storage, shape memory and biomedical materials. These compounds display excellent structural properties such as high strength due to their stable B2 phase at elevated temperatures. However, when some are subjected to unfavourable conditions such as lower temperature they become unstable and undergo… Show more
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