Abstract
Graphene oxide/H‐Ge (111) van der Waals (vdW) heterostructure is investigated by using first‐principle methods. An oxygen carbon ratio of 1:6 is applied to form a graphene oxide (GO) layer. A band inversion induced by built‐in electric field is observed, and a 7.4 meV indirect gap has been opened around the Dirac cone in GO layer. Being adsorbed on hydrogen‐passivated Ge surface, the band inversion occurs again around Fermi energy. Two‐dimensional electronic gas is confirmed with a 0.27 eV potential well appearing at the H layer. The charge transfer mechanism is revealed in order to illustrate band inversion and the electron accumulation on the Ge surface. Our calculation results provide insight into the electronic properties of GO and exhibit possible application of GO/H‐Ge (1111) heterostructure on the emerging electronic devices.
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