Impact of interface structure on Schottky-barrier height for Ni∕ZrO2(001) interfaces

Abstract

The Schottky-barrier heights for the Ni and ZrO2 interfaces have been determined using the x-ray photoemission method. Depending on the surface treatment of ZrO2, the variation of Schottky-barrier heights at Ni∕ZrO2 interfaces was found as large as 0.76±0.10eV. The p-type Schottky-barrier height for the oxygen-rich (oxygen-deficient) interface was measured to be 2.60eV (3.36eV). First-principles calculations provide a microscopic explanation of such variation, which was attributed to the different interface dipole formed by interfacial Ni–O, Ni–Zr bonds, or oxygen vacancies.