Density Functional Theory Simulations of High-k Oxides on III-V Semiconductors
نویسندگان
چکیده
Abstract A comprehensive overview of density functional theory simulations of high-k oxide/III-V semiconductor interfaces is presented. The methodologies of realistic amorphous high-k oxide generation by hybrid classical-DFT molecular dynamics are compared. The simulation techniques, oxide/semiconductor model designs and rules for formation of unpinned high-k oxide/semiconductor interfaces are discussed. The density-functional theory molecular dynamics simulations of a-Al 2 O 3 /InGaAs and a-Al 2 O 3 /InAlAs/InGaAs stacks are presented and analyzed.
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