Global Research Output on First Principles: A Scientiometric study

Abstract

Over the last decade, first principle-based methods have now become the most efficient pillar for determining several physio-chemical properties for atoms, molecules and solids. They are also a method to predict the properties of any new materials with different doping concentration, and they could sometimes replace experiments which are very costly or even impossible in the laboratory. Looking to the importance of the method, the Scientiometric method is used to analyse all the publications related to first principles study indexed in the web of science (WOS) database from 1990 to 2018. In total 2903 documents were published by 6082 authors in different sources. The study had been done on the basis of some basic elements like year wise analysis, country wise research analysis, citation wise, keywords wide etc. So, authors per documents were 2.1 and majority of the authors work in collaboration. The maximum growth was observed in the period of 2014-2018, i.e. 54.39 %. The top keywords ab-intio, augmented wave method, density functional theory, electronic structure, total energy calculation. All these keywords revolve around the fundamental theory and applications of first principle.