Spin transport through a junction entirely consisting of molecules from first principles
Sign Up to like & getrecommendations! Published in 2017 at "Applied Physics Letters"
DOI: 10.1063/1.5009744
Abstract: Using first-principles calculations based on density functional theory combined with the nonequilibrium Green's function formalism, we studied the spin transport through a single molecular junction which consists of a single 1,4-benzenedithiolate (BDT) molecule and two… read more here.
Keywords: spin transport; junction entirely; molecular junction; transport junction ... See more keywords
Binding structure, breaking forces and conductance of Au-Octanedithiol-Au molecular junction under stretching processes: a DFT-NEGF study
Sign Up to like & getrecommendations! Published in 2022 at "Nanotechnology"
DOI: 10.1088/1361-6528/aca617
Abstract: Au-n-octanedithiol-Au molecular junction (Au-SC8S-Au) has been investigated using density functional theory combined with the nonequilibrium Green’s function approach. Theoretically calculated results are used to build the relationship between the interface binding structures and single-molecule quantum… read more here.
Keywords: conductance; octanedithiol molecular; conductance octanedithiol; molecular junction ... See more keywords
Theoretical design of thermal spin molecular logic gates by using a combinational molecular junction
Sign Up to like & getrecommendations! Published in 2022 at "Chinese Physics B"
DOI: 10.1088/1674-1056/ac3a5f
Abstract: Based on the density functional theory combined with the nonequilibrium Green function methodology, we have studied the thermally-driven spin-dependent transport properties of a combinational molecular junction consisting of a planar four-coordinate Fe molecule and a… read more here.
Keywords: spin; thermal spin; molecular junction; combinational molecular ... See more keywords
Proximity-Induced Shiba States in a Molecular Junction.
Sign Up to like & getrecommendations! Published in 2017 at "Physical review letters"
DOI: 10.1103/physrevlett.118.117001
Abstract: Superconductors containing magnetic impurities exhibit intriguing phenomena derived from the competition between Cooper pairing and Kondo screening. At the heart of this competition are the Yu-Shiba-Rusinov (Shiba) states which arise from the pair breaking effects… read more here.
Keywords: shiba states; induced shiba; molecular junction; states molecular ... See more keywords