Related papers: Graphene thermal break-down induced by anharmonic …
Graphene exhibits extraordinary electronic and mechanical properties, and extremely high thermal conductivity. Being a very stable atomically thick membrane that can be suspended between two leads, graphene provides a perfect test platform…
In this paper, we calculated the dielectric function, the loss function, the magnetoplasmon dispersion relation and the temperature-induced transitions for graphene in a uniform perpendicular magnetic field B. The calculations were…
In recent years, nanostructuring of dielectric and semiconducting crystals has enhanced controllability of their thermal conductivity. To carry out computational material search for nanostructured materials with desirable thermal…
The holographic dual of a finite-temperature gauge theory with a small number of flavours typically contains D-brane probes in a black hole background. We have recently shown that these systems undergo a first order phase transition…
While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…
The use of Raman scattering techniques to study the mechanical properties of graphene films is reviewed here. The determination of Gruneisen parameters of suspended graphene sheets under uni- and bi-axial strain is discussed and the values…
Amorphous materials are also distinguished from crystals by their thermal properties. The structural disorder seems to be responsible both for a significant increase in heat capacity compared to crystals of the same composition, but also…
Energy transfer to acoustic phonons is the dominant low-temperature cooling channel of electrons in a crystal.For cold neutral graphene we find that the weak cooling power of its acoustical modes relative to the heat capacity of the system…
Recently, a universal relation between the thermal expansion coefficient of glasses $\alpha_g$, their glass-transition temperature Tg, and the so-called fragility index m of the corresponding supercooled liquid state was found to be valid…
Hydrogen and deuterium chemisorption on a single layer of graphene has been studied by path-integral molecular dynamics simulations. Finite-temperature properties of these point defects were analyzed in the range from 200 to 1500 K, by…
Since more than 100 years, melting is thought to be governed by the Lindemann criterion. It assumes that a crystal melts when, upon heating, the growing atomic vibration amplitudes become sufficiently large to destabilize its crystalline…
Free-standing graphene is inherently crumpled in the out-of-plane direction due to dynamic flexural phonons and static wrinkling. We explore the consequences of this crumpling on the effective mechanical constants of graphene. We develop a…
The subject of thermal transport at the mesoscopic scale and in low-dimensional systems is interesting for both fundamental research and practical applications. As the first example of truly two-dimensional materials, graphene has…
The electronic properties of graphene under any arbitrary uniaxial strain field are obtained by an exact mapping of the corresponding tight-binding Hamiltonian into an effective one-dimensional modulated chain. For a periodic modulation,…
The melting of a Wigner Crystal of electrons placed into a host polar material is examined as a function of the density and the temperature. When the coupling to the longitudinal optical modes of the host medium is turned on, the WC is…
A unified theory of phase transitions and quantum effects in quantum anharmonic crystals is presented. In its framework, the relationship between these two phenomena is analyzed. The theory is based on the representation of the model Gibbs…
We investigate the phonon thermal conductance of graphene regarding the graphene sheet as the large-width limit of graphene strips in the ballistic limit. We find that the thermal conductance depends weakly on the direction angle $\theta$…
Vacancies are prevalent point defects in crystals, but their thermal responses are elusive. Herein, we formulate a simple theoretical model to shed light on the vacancy evolution during heating. Vibrational excitations are thoroughly…
We report a computational study of the anharmonicity of the vibrational modes of various individual fullerenes using the "moments method" [Y. Gao and M. Daw, Modelling Simul. Mater. Sci. Eng. 23 045002 (2015)] with a Tersoff-style potential…
Graphene and its derivatives distinguish themselves for their large negative thermal expansion even at temperatures as high as 1000K. The linear thermal expansion coefficients (LTEC) of two-dimensional honeycomb structured pure graphene and…