Design of high-entropy films as ultra-violet light reflector

Abstract

This study proposes the design and implementation of high-entropy alloy (HEA) thin films as materials for the reflector of deep ultraviolet light-emitting devices and marks the first application of HEA in optical field. In the material design phase, an Al-Co-Zn-Ni alloy is designed by considering the reflectivity, phase stability and binary formation energy. Reverse Monte Carlo calculation is employed to establish stable atomic structure. Frequency-dependent dielectric equations are derived from first principles calculations, with dielectric constants incorporating contributions from ions and electrons and combining classical Drude and Lorentz models. The dielectric equations yield optical constants that are used to calculate the reflectance. In the experimental phase, we systematically vary the aluminum content and prepare Al-Co-Zn-Ni thin films ranging from pure aluminum to equimolar compositions. In the deep ultraviolet region, the reflectance of thermally treated Al65Zn12Co12Ni11 and Al50Zn16Co17Ni17 thin films is found superior to that of gold by three times. Structural and crystalline changes with varying aluminum content are found, as well as intriguing phase separation and superlattice formation that persist until equimolar compositions. This unique nanoscale structural variation causes the Young's modulus and hardness of Al-Co-Zn-Ni thin films to initially increase and then decrease with decreasing aluminum content. There is a significant increase in the corrosion potential difference when reducing Al contents in Al-Co-Zn-Ni, indicating improved passivation effects as the equimolar composition is approached. By modulating the aluminum content, the nanoscale structure of Al-Co-Zn-Ni can be adjusted, thereby improving its optical, mechanical, corrosion resistance, and thermal stability properties. This demonstrates the high versatility of this material for practical optical applications.