相关论文: Bending modes, anharmonic effects and thermal expa…
The temperature effect of quantum interference on resistivity is examined in monolayer graphene, with experimental results showing that the amplitude of the conductance fluctuation increases as temperature decreases. We find that this…
Non-equilibrium transport and phonon branch-resolved size effects in single-layer graphene materials are studied under a multi-temperature kinetic model, which is developed for capturing the branch-dependent electron-phonon coupling.…
The effect of grain boundary (GB) structure, size and shape on thermal conductivity of polycrystalline graphene is studied in the framework of the deformation potential approach. Precise analytical expressions for the phonon mean free path…
Thermoelectric power of a material, typically governed by its band structure and carrier density, can be varied by chemical doping that is often restricted by solubility of the dopant. Materials showing large thermoelectric power are useful…
Single layer graphene simply-supported on a polymer substrate was subjected to axial compression and its behavior upon loading was monitored with laser Raman spectroscopy (LRS). The graphene was found to fail by wrinkling (buckling) at a…
Graphene layers are stable, hard, and relatively inert. We study how tensile stress affects $\sigma$ and $\pi$ bonds and the resulting change in the chemical activity. Stress affects more strongly $\pi$ bonds that can become chemically…
MXene-based heterostructures have received considerable interest owing to their unique properties. Herein, we examine various heterostructures of a prototypical MXene and graphene using density functional theory. We find that the adhesion…
Using a first principles density functional electronic structure method, we study the energy gaps and magnetism in bilayer graphene nanoribbons as a function of the ribbon width and the strength of an external electric field between the…
In this work we analyze infinite graphene nanoribbons subjected to non-uniform magnetic fields that produce topological domain walls in the quantum Hall regime. We show how the proximity between edge states from neighboring domains modifies…
Using scanning probe microscopy and spectroscopy, we explore the spatial symmetry of the electronic wavefunctions of twisted bilayer graphene at the "magic angle" of 1.1 degrees. This small twist angle leads to a long wavelength moir\'e…
The structural, dynamical, and thermodynamical properties of diamond, graphite and layered derivatives (graphene, rhombohedral graphite) are computed using a combination of density-functional theory (DFT) total-energy calculations and…
The calculations are performed for a broad range of the properties of Ca and Sr in the fcc and bcc phases. A detailed information on the magnitude and character of temperature dependence of anharmonic effects in the lattice dynamics over…
We report the temperature dependent electrical transport properties of gated bilayer graphene devices. We see a clear evidence of insulating behavior due to electron-hole charge puddles. The electrical resistivity increases while the…
We analyze the thermal fluctuations of a narrow graphene nanoribbon. Using a continuum, membrane-like model we study the height-height correlation functions and the destabilization modes corresponding to two different boundaries conditions:…
We address the intrinsic polarisation and screening of external electric field in a broad range of ordered and twisted configurations of multilayer graphene, using an ab initio approach combining density functional theory and the Wannier…
We study the influence of different edge types on the electronic density of states of graphene nanostructures. To this end we develop an exact expansion for the single particle Green's function of ballistic graphene structures in terms of…
By combining continuum elasticity theory and tight-binding atomistic simulations, we work out the constitutive nonlinear stress-strain relation for graphene stretching elasticity and we calculate all the corresponding nonlinear elastic…
Studies of the mechanical properties of single-walled carbon nanotubes are hindered by the availability only of ensembles of tubes with a range of diameters. Tunable Raman excitation spectroscopy picks out identifiable tubes. Under high…
We study the effects of insulating oxides in their crystalline forms on the energy band structure of monolayer and bilayer graphene using a \textit{first principles} density functional theory based electronic structure method and a local…
The experimental work [J. Crossno et al., Science 351, 1058 (2016)], which reported the violation of the Wiedemann-Franz law in monolayer graphene characterized by a sharp peak of the Lorenz ratio at a finite temperature, has not been fully…