First Principle Study on the Electronic Structure of Borides

Abstract

This study utilizes accurate first principle method to conduct a comparative study on he electronic structure of multiple borides. State density of the borides is also summarized. It is found that lanthanum boride has special electronic structure characteristics. Therefore, it is presumed that there is high superconducting transition temperature (Tc) in lanthanum boride. This study is able to provide asignificant theoretical reference for further experimental research.