Adjusting the structural, electronic and elastic properties of CdS by the introduction of Be: A first-principles study

The semiconductor material cadmium sulfide (CdS) is considered to have potential application value in electronic and optoelectronic devices due to its unique structure and electronic properties. At present, a variety of modification methods (such as doping) have been tried to apply to CdS, but the modified CdS often has poor mechanical stability. In this work, we study the changes in the structural, electronic, and elastic properties of CdS after the introduction of the Be element, with the aim of studying the changes in structural stability. The results show that the introduction of Be element has an effective regulating effect on the structural, electronic and elastic properties of CdS. In general, the elastic properties of various polycrystallines of material CdBeS are effectively adjusted between materials CdS and BeS. The results of the study have some guiding significance for the design of stable CdS-based electronic and optoelectronic devices.

Automated summary

This study investigates the changes in the structural stability of CdS after the introduction of Be element. The results show that Be element effectively regulates the structural, electronic, and elastic properties of CdS, providing guidance for the design of stable CdS-based electronic and optoelectronic devices.