Related papers: Phonon dispersion in two-dimensional solids from a…
Strain engineering is critical to the performance enhancement of electronic and thermoelectric devices because of its influence on the material thermal conductivity. However, current experiments cannot probe the detailed physics of the…
Following the emergence of many novel two-dimensional (2-D) materials beyond graphene, interest has grown in exploring implications for fundamental physics and practical applications, ranging from electronics, photonics, phononics, to…
We present a phenomenological force-constant model developed for the description of lattice dynamics of sp2 hybridized carbon networks. Within this model approach, we introduce a new set of parameters to calculate the phonon dispersion of…
Isotopic effects are relevant to understand several properties of solids, and have been thoroughly analyzed along the years. These effects may depend on the dimensionality of the considered solid. Here we assess their magnitude for…
We report a comprehensive study of the two-phonon inter-valley (2D) Raman mode in graphene monolayers, motivated by recent reports of asymmetric 2D-mode lineshapes in freestanding graphene. For photon energies in the range $1.53 \rm eV -…
The Coulomb excitations of charge density oscillation are calculated for a double-layer heterostructure. Specifically, we consider two-dimensional (2D) layers of silicene and graphene on a substrate. From the obtained surface response…
We present a double-resonant Raman mode in few-layer graphene, which is able to probe the number of graphene layers reliably. This so-called N mode on the low-frequency side of the G mode results from a double-resonant Stokes/anti-Stokes…
To elucidate the relationship between a crystal's structure, its thermal conductivity, and its phonon dispersion characteristics, an analysis is conducted on layered diatomic Lennard-Jones crystals with various mass ratios. Lattice dynamics…
The elastodynamic response of finite 3D phononic structures is analyzed by means of comparing experimental findings obtained through a laser Doppler vibrometry-based methodology and theoretical computations performed with the…
The dispersion of phonons and the electronic structure of graphene systems can be obtained experimentally from the double-resonance (DR) Raman features by varying the excitation laser energy. In a previous resonance Raman investigation of…
A quantum theory of dispersion for an inhomogeneous solid is obtained, from a starting point of multipolar coupled atoms interacting with an electromagnetic field. The dispersion relations obtained are equivalent to the standard classical…
We present a numerical approach to the solution of elastic phonon scattering problems based on a frequency domain decomposition of the atomistic equations of motion and the use of perfectly matched layer or PML boundaries. Unlike MD…
In this paper, a new heterostructure based on the hybridization of graphene-LiF layers with a nonlinear material is introduced and studied. The numerical results are depicted and discussed in detail. A high value of FOM (FOM=24.5) at the…
The effect of inclusion of the planar phonon anisotropy on thermo-electrical behavior of graphene is analyzed. Charge transport is simulated by means of Direct Simulation Monte Carlo technique coupled with numerical solution of the phonon…
Second-order nonlinear optical response allows to detect different properties of the system associated with the inversion symmetry breaking. Here, we use a second harmonic generation effect to investigate the alignment of a…
Although extensive experimental and theoretical works have been conducted to understand the ballistic and diffusive phonon transport in nanomaterials recently, direct observation of temperature and thermal nonequilibrium of different phonon…
Problems of heat transport are ubiquitous to various technologies such as power generation, cooling, electronics, and thermoelectrics. In this paper we advocate for the application of the quantum self-consistent reservoir method, which is…
Phonon anharmonicity is ubiquitous in real materials and is crucial for understanding thermal properties and phase stability. In this work, we show that anharmonic phonon modes can be obtained by maximizing their vibration stability during…
In this work we study the symmetry properties of electrons and phonons in graphene systems as function of the number of layers. We derive the selection rules for the electron-radiation and for the electron-phonon interactions at all points…
To describe the interaction of the two level systems (TLSs) of an amorphous solid with arbitrary strain fields, we introduce a generalization of the standard interaction Hamiltonian. In this new model, the interaction strength depends on…