Exploring positron characteristics utilizing two new positron–electron correlation schemes based on multiple electronic structure calculation methods

Zhang Wen-Shuai^a),^b), Gu Bing-Chuan^a),^b), Han Xiao-Xi^a),^b), Liu Jian-Dang^a),^b), Ye Bang-Jiao†^a),^b)

The total Coulomb potential V ^e+ (in unit of Ry) sensed by the positron based on the ionic pseudo-potentials ( V _PP) and reconstructed ionic full-potential ( V _FP) and the corresponding calculated positron densities ρ ^e+ (in unit of a.u.) along the [100] direction between two adjacent atoms for Al (a) and Si (b), respectively. To make a further comparison, the full-potentials calculated by using the FLAPW method ( V _FLAPW) are also plotted.