Calculation of Ge1-xYx (Sn, Pb) work function along (100), (110), (111) directions based on first principle

Ge Schottky diode is the core component of the rectifier circuit in wireless power transfer. By reducing its series resistance, the rectification efficiency of the wireless power transfer can be improved. Ge can be made into a direct band gap semiconductor by alloying with 8% Sn component or 3% Pb component. The electron mobility of direct band gap Ge1-xYx (Sn, Pb) alloy is two to three times that of Ge. High electron mobility will reduce the series resistance of a Schottky diode. Therefore, in recent years, direct band-gap Ge1-xYx (Sn, Pb) alloys for Schottky diodes have attracted much more attention. Using a direct band gap Ge1-xYx (Sn, Pb) alloy to make a Schottky diode requires designing a Schottky junction first. To this end, the first-principle method is used to calculate Ge1-xYx (Sn, Pb) alloys along different directions, which provides a theoretical basis for the subsequent Schottky junction design.