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We investigate quantum transport properties of triangular graphene flakes with zigzag edges by using first principles calculations. Triangular graphene flakes have large magnetic moments which vary with the number of hydrogen atoms terminating its edge atoms and scale with its size. Electronic transmission and current-voltage characteristics of these flakes, when contacted with metallic electrodes, reveal spin valve and remarkable rectification features. The transition from ferromagnetic to antiferromagnetic state under bias voltage can, however, terminate the spin polarizing effects for specific flakes. Geometry and size dependent transport properties of graphene flakes may be crucial for spintronic nanodevice applications.
The authors proposed a simple model for the lattice thermal conductivity of graphene in the framework of Klemens approximation. The Gruneisen parameters were introduced separately for the longitudinal and transverse phonon branches through averaging
We present the first experimental investigation of nonlinear optical properties of graphene flakes. We find that at near infrared frequencies a graphene monolayer exhibits a remarkably high third-order optical nonlinearity which is practically indepe
We examine the possibility of using graphene nanoribbons (GNRs) with directly substituted chromium atoms as spintronic device. Using density functional theory, we simulate a voltage bias across a constructed GNR in a device setup, where a magnetic di
Graphene nanoribbons (GNRs) have recently been shown by Cao, Zhao, and Louie [Cao, T.; Zhao, F.; Louie, S. G. Phys. Rev. Lett. 2017, 119, 076401] to possess distinct topological phases in general, characterized by a Z2 invariant. Cove-edged and chevr
The influence of periodic edge vacancies and antidot arrays on the thermoelectric properties of zigzag graphene nanoribbons is investigated. Using the Greens function method, the tight-binding approximation for the electron Hamiltonian and the 4th ne