The Use of DFT-Based <em>ab-initio</em> Technique to Determine the Stability Difference in B2 Ti-PGM Compounds

In this chapter, the density functional theory (DFT) based first-principles approach is used to predict the underlying lattice properties associated with the phase transformation and stability of B2 phase in titanium-platinum group metal (Ti-PGM) compounds. This ab- initio technique provides a good...

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Autores principales:	Diale, Ramogohlo, Nkomo, Duduzile, Ngobe, Bongani, Phasha, Maje
Formato:	Capítulo de libro
Lenguaje:	inglés
Publicado:	IntechOpen 2023
Materias:	Physical Sciences, Engineering and Technology
Acceso en línea:	https://www.intechopen.com/chapters/88372
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