Parameter of the Ashcroft model potential has been computed in this paper for twenty two hexagonal closed pack (hcp) crystals. Calculation uses pseudopotential technique with nine different exchange and correlation functions and either available experimental value of monovacancy formation energy or an empirical relation based on other experimental parameters (melting temperature, cohesive energy or activation energy) as tool. The complete set of value of this parameter for cubic crystals will be used for further calculation of energetic of self and impurity diffusion via vacancy mechanism or other type of point defects.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.