Constructing ab initio models of ultra-thin Al-AlOx-Al barriers

摘要: The microscopic structure of ultra-thin oxide barriers often plays a major role in modern nano-electronic devices. In the case superconducting electronic circuits, their operation depends on electrical nonlinearity provided by one or more such layers form tunnel (also known as Josephson junctions). Currently available fabrication techniques manufacture an amorphous barrier, which is attributed noise source within device. nature this currently open question and requires both experimental theoretical investigation. Here, we present methodology for constructing atomic-scale computational models junctions using combination molecular mechanics, empirical ab initio methods. These consist aluminium-oxide sandwiched between crystalline aluminium. stability these function density stoichiometry are investigated, com...