In this study,we employed molecular dynamics simulations to investigate the interfacial thermal conductance(ITC)and phonon transport of heterostructures composed of graphene(GE)and quasi-hexagonal phase fullerene(qHPC...In this study,we employed molecular dynamics simulations to investigate the interfacial thermal conductance(ITC)and phonon transport of heterostructures composed of graphene(GE)and quasi-hexagonal phase fullerene(qHPC60).We examined the effects of size,interface interaction coefficients,and thermal equilibrium time on the ITC of the GE/qHPC60 heterostructure.展开更多
We utilize the Hirsch-Fye quantum Monte Carlo method to investigate the local moment formation of a magnetic impurity in a Bernal-stacked bilayer honeycomb lattice. A tight-binding model with the two most significant ...We utilize the Hirsch-Fye quantum Monte Carlo method to investigate the local moment formation of a magnetic impurity in a Bernal-stacked bilayer honeycomb lattice. A tight-binding model with the two most significant inter-layer hoppings, tl between pairs of dimer sites and t3 between pairs of non-dimer sites, is used to describe the kinetic energy of the system. The local moment formed shows an asymmetric response to the inter-layer hoppings depending on which sublattice the impurity is coupled to. In the dimer and non-dimer couplings, the effects of t1 and t3 onto the local moment are quite opposite. When tuning the local moment, this asymmetric response is observed in a wide parameter range. This asymmetric response is also discussed by the computations of spectral densities, as well as correlation functions between the magnetic impurity and the conduction electrons.展开更多
基金supported by the National Natural Science Foundation of China(Grant No.12204130)the Fundamental Research Funds for the Central University of China(Grant No.2019ZDPY16)+2 种基金the Basic Research Project of Xuzhou City(Grant No.KC22043)the support funded by the Graduate Innovation Program of China University of Mining and Technology(Grant Nos.2024WLJCRCZL266 and 2024WLJCRCZL294)the Postgraduate Research Practice Innovation Program of Jiangsu Province(Grant No.KYCX24_2692)。
文摘In this study,we employed molecular dynamics simulations to investigate the interfacial thermal conductance(ITC)and phonon transport of heterostructures composed of graphene(GE)and quasi-hexagonal phase fullerene(qHPC60).We examined the effects of size,interface interaction coefficients,and thermal equilibrium time on the ITC of the GE/qHPC60 heterostructure.
基金Project supported by the National Natural Science Foundation of China(Grant No.11604166)the Zhejiang Open Foundation of the Most Important Subjects,China(Grant No.xkzw11609)the K.C.Wong Magna Fund in Ningbo University,China
文摘We utilize the Hirsch-Fye quantum Monte Carlo method to investigate the local moment formation of a magnetic impurity in a Bernal-stacked bilayer honeycomb lattice. A tight-binding model with the two most significant inter-layer hoppings, tl between pairs of dimer sites and t3 between pairs of non-dimer sites, is used to describe the kinetic energy of the system. The local moment formed shows an asymmetric response to the inter-layer hoppings depending on which sublattice the impurity is coupled to. In the dimer and non-dimer couplings, the effects of t1 and t3 onto the local moment are quite opposite. When tuning the local moment, this asymmetric response is observed in a wide parameter range. This asymmetric response is also discussed by the computations of spectral densities, as well as correlation functions between the magnetic impurity and the conduction electrons.
