Abstract
The control of Fermi-energy position at metal/Ge interface is one of issues to be overcome for developing next-generation Ge devices. In this work, at first, we study the Schottky barrier at various TiN/Ge interfaces by the first-principles calculation and show that the Fermi-level pinning occurs at clean TiN/Ge interface, while the pinning is broken, i.e., the depinning occurs, at N-rich TiN/Ge interface, in agreement with experiments. By analyzing electronic structures, we show that the appearance of N-rich interface layers such as TiN2 and Ge3N4 layers realizes the depinning. Next, we compare the depinning features at various metal/Ge interfaces and show that the termination of interface bonds of Ge eliminates the electronic freedom of gap states in interface Ge layers and promotes the depinning.
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