Related papers: Highly Itinerant Atomic Vacancies in Phosphorene
The interlayer breathing and shear modes in few-layer black phosphorus are investigated for their symmetry and lattice dynamical properties. The symmetry groups for the even-layer and odd-layer few-layer black phosphorus are utilized to…
We theoretically calculate the phonon scattering limited electron mobility in extrinsic (i.e. gated or doped with a tunable and finite carrier density) 2D graphene layers as a function of temperature $(T)$ and carrier density $(n)$. We find…
As an emerging single elemental layered material with a low symmetry in-plane crystal lattice, black phosphorus (BP) has attracted significant research interest owing to its unique electronic and optoelectronic properties, including its…
Quantum thermal transport in armchair and zig-zag graphene nanoribbons are investigated in the presence of single atomic vacancies and subject to different boundary conditions. We start with a full comparison of the phonon polarizations and…
We present an ab-initio investigation of effects of shear strain on band structure and electronic properties of 2D phosphorene. We carried out DFT calculations to determine the shear stress as a function of shear strain and found the…
Flexoelectricity is a form of electromechanical coupling that has recently emerged because, unlike piezoelectricity, it is theoretically possible in any dielectric material. Two-dimensional (2D) materials have also garnered significant…
It is known that carrier mobility in layered semiconductors generally increases from two-dimension (2D) to three-dimension due to suppressed scattering channels resulting from decreased densities of electron and phonon states. In this work,…
Vertical graphene heterostructures made up of graphene layers separated by BN spacers allow for novel ways of tuning the interactions between electrons. We study the possibility of electron pairing mediated by modified repulsive…
Optical and electronic properties of black phosphorus strongly depend on the number of layers and type of stacking. Using first-principles calculations within the framework of density functional theory, we investigate the electronic…
High carrier mobilities play a fundamental role for high-frequency electronics, integrated optoelectronics as well as for sensor and spintronic applications, where device performance is directly linked to the magnitude of the carrier…
Continuum modeling of free-standing graphene monolayer, viewed as a two dimensional 2-lattice, requires specification of the components of the shift vector that acts as an auxiliary variable. If only in-plane motions are considered the…
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…
A fundamental understanding of the phonon transport mechanism is important for optimizing the efficiency of thermoelectric devices. In this study, we investigate the thermal transport properties of the oxidized form of phosphorene called…
The proton dynamics of a 2D water monolayer confined inside a graphene slit pore is studied in Cartesian and molecular frames of reference using molecular dynamics simulations. The vibrational density of states of the proton was calculated…
Carrier mobility is a crucial character for electronic devices since it domains power dissipation and switching speed. Materials with certain high carrier mobility, equally, unveil rich unusual physical phenomena elusive in their…
The electron transport properties of atomically thin semiconductors such as MoS2 have attracted significant recent scrutiny and controversy. In this work, the scattering mechanisms responsible for limiting the mobility of single layer…
In this work, device performances of tunneling field effect transistors (TFETs) based on phosphorene are explored via self-consistent atomistic quantum transport simulations. Phosphorene is an ultra-thin two-dimensional (2-D) material with…
Molybdenum disulfide is a novel two-dimensional semiconductor with potential applications in electronic and optoelectronic devices. However, the nature of charge transport in back-gated devices still remains elusive as they show much lower…
The recent discovery of phase IV of solid hydrogen and deuterium consisting of two alternate layers of graphenelike three-molecule rings and unbound H2 molecules have generated great interests. However, vibrational nature of phase IV…
Two-dimensional electron gases (2DEG) have been an important source of experimental discovery and conceptual development in condensed matter physics for decades. When combined with the unique electronic properties of two-dimensional (2D)…