Commensurate and incommensurate Haldane phases for a spin-1 bilinear-biquadratic model are investigated using an infinite matrix product state algorithm.The bipartite entanglement entropy can detect a transition point...Commensurate and incommensurate Haldane phases for a spin-1 bilinear-biquadratic model are investigated using an infinite matrix product state algorithm.The bipartite entanglement entropy can detect a transition point between the two phases.In both phases,the entanglement spectrum shows double degeneracy.We calculate the nonlocal order parameter of the bond-centered inversion in both phases,which rapidly approaches a saturation value of-1 as the segment length increases.The nonlocal order parameter of the bond-centered inversion with a saturation value-1 and the nonzero value string order indicate that the Haldane phase is a symmetry-protected topological phase.To distinguish the commensurate and incommensurate Haldane phases,the transversal spin correlation and corresponding momentum distribution of the structure factor are analyzed.As a result,the transversal spin correlations exhibit different decay forms in both phases.展开更多
We investigate the eleetronic transport properties of dipyrimidinyl-diphenyl sandwiched between two armchair graphene nanoribbon electrodes using the nonequilibrium Green function formalism combined with a firstprinci...We investigate the eleetronic transport properties of dipyrimidinyl-diphenyl sandwiched between two armchair graphene nanoribbon electrodes using the nonequilibrium Green function formalism combined with a firstprinciples method based on density functional theory. Among the three models M1-M3, Ml is not doped with a heteroatom. In the left parts of M2 and M3, nitrogen atoms are doped at two edges of the nanoribbon. In the right parts, nitrogen atoms are doped at one center and at the edges of M2 and M3, respectively. Comparisons of M1, M2 and M3 show obvious rectifying characteristics, and the maximum rectification ratios are up to 42.9 in M2. The results show that the rectifying behavior is strongly dependent on the doping position of electrodes. A higher rectifhcation ratio can be found in the dipyrimidinyl-diphenyl molecular device with asymmetric doping of left and right electrodes, which suggests that this system has a broader application in future logic and memory devices.展开更多
基金supported by the National Natural Science Foundation of China(11504283)Scientific Research Program Fundation of Shaanxi Provincial Education Department(16JK1335)
基金the National Natural Science Foundation of China(Grant No.11805285)the Natural Science Foundation of Shaanxi Province of China(Grant No.2022JM-033)the Science and Technology Research Program of Chongqing Municipal Education Commission(Grant No.KJQN 201900703)。
文摘Commensurate and incommensurate Haldane phases for a spin-1 bilinear-biquadratic model are investigated using an infinite matrix product state algorithm.The bipartite entanglement entropy can detect a transition point between the two phases.In both phases,the entanglement spectrum shows double degeneracy.We calculate the nonlocal order parameter of the bond-centered inversion in both phases,which rapidly approaches a saturation value of-1 as the segment length increases.The nonlocal order parameter of the bond-centered inversion with a saturation value-1 and the nonzero value string order indicate that the Haldane phase is a symmetry-protected topological phase.To distinguish the commensurate and incommensurate Haldane phases,the transversal spin correlation and corresponding momentum distribution of the structure factor are analyzed.As a result,the transversal spin correlations exhibit different decay forms in both phases.
基金Supported by the National Natural Science Foundation of China under Grant Nos 11504283 and 21503153the Natural Science Foundation of Shaanxi Province under Grant No 2014JM1025the Science and Technology Star Project of Shaanxi Province under Grant No 2016KJXX-45
文摘We investigate the eleetronic transport properties of dipyrimidinyl-diphenyl sandwiched between two armchair graphene nanoribbon electrodes using the nonequilibrium Green function formalism combined with a firstprinciples method based on density functional theory. Among the three models M1-M3, Ml is not doped with a heteroatom. In the left parts of M2 and M3, nitrogen atoms are doped at two edges of the nanoribbon. In the right parts, nitrogen atoms are doped at one center and at the edges of M2 and M3, respectively. Comparisons of M1, M2 and M3 show obvious rectifying characteristics, and the maximum rectification ratios are up to 42.9 in M2. The results show that the rectifying behavior is strongly dependent on the doping position of electrodes. A higher rectifhcation ratio can be found in the dipyrimidinyl-diphenyl molecular device with asymmetric doping of left and right electrodes, which suggests that this system has a broader application in future logic and memory devices.
