X-ray near-edge structure analysis of ZnSe, ZnMnSe and ZnFeSe: experimental and theoretical studies

Publisher Website
Google Scholar
Abstract
Experimental studies of x-ray absorption edges have been carried out in ZnSe, Zn1-xMnxSe (x=0.05 and 0.1) and Zn1-xFexSe (x=0.22) for the K edges of Se, Zn, Mn and Fe. A comparison is made for a zincblende (ZB) crystalline structure of ZnSe, ZnMnSe and ZnFeSe with calculated results from electron densities of states in the conduction band of these materials obtained from a band calculation of the ferromagnetic phase of Zn1-xMnxSe (x=0.5) and Zn1-xFexSe (x=0.25) using the LMTO method. The agreement between the theoretical x-ray absorption edges and experimental data is satisfactory. Further, a comparison based on the density of states for ferromagnetic and antiferromagnetic ordering has been carried out in the case of ZnFeSe. Using the virtual crystal model for ZnFeSe and ZnMnSe, the Se K edges of the hypothetical zincblende structure of FeSe and MnSe as well as a hybridized contribution of FeSe and MnSe in ZnFeSe and ZnMnSe have been extracted. Comparing the data with the conduction band of pure ZnSe, taken as a standard compound, these show a maximum of the p-like contribution in ZnFeSe situated at about 1.7 eV (maximum A) below, and 9.6 eV (maximum B) above, the corresponding energy of the conduction band minimum for ZnSe, and at about 0.65 eV below and 11.8 eV above it for ZnMnSe.