Related papers: Isotropic or anisotropic screening in black phosph…
We systematically investigated the geometric, electronic and thermoelectric (TE) properties of bulk black phosphorus (BP) under strain. The hinge-like structure of BP brings unusual mechanical responses such as anisotropic Young's modulus…
The dielectric properties of Bi$_2$Te$_3$, a layered compound crystallizing in a rhombohedral structure, are investigated by means of first-principles calculations at the random phase approximation level. A special attention is devoted to…
The intrinsic carrier transport dynamics in phosphorene is theoretically examined. Utilizing a density functional theory treatment, the low-field mobility and the saturation velocity are characterized for both electrons and holes in the…
We study theoretically the structural and electronic response of layered bulk black phosphorus to in-layer strain. Ab initio density functional theory (DFT) calculations reveal that the strain energy and interlayer spacing display a strong…
Utilizing a combination of low-temperature scanning tunneling microscopy/spectroscopy (STM/STS) and electronic structure calculations, we characterize the structural and electronic properties of single atomic vacancies within several…
Doped free carriers can substantially renormalize electronic self-energy and quasiparticle band gaps of two-dimensional (2D) materials. However, it is still challenging to quantitatively calculate this many-electron effect, particularly at…
The unique optoelectronic properties of black phosphorus (BP) have triggered great interest in its applications in areas not fulfilled by other layered materials (LMs). However, its poor stability (fast degradation, i.e. <<1 h for…
Phonon polaritons (PhPs) -- lattice vibrations coupled to electromagnetic fields -- in highly anisotropic media display a plethora of intriguing optical phenomena (including ray-like propagation, anomalous refraction, and topological…
Black phosphorus (bP) is a crystalline material that can be seen as ordered stackings of two-dimensional layers, which lead to outstanding anisotropic physical properties. The knowledge of its pressure-temperature (P-T) phase diagram, and…
Owing to its outstanding electronic properties, black phosphorus (BP) is considered as a promising material for next-generation optoelectronic devices. In this work, devices based on BP/MXene (Zrn+1CnT2, T = O, F, OH, n = 1, 2) van der…
TiO$_2$ anatase has its significant importance in energy and environmental research. However, the major drawback of this immensely popular semi-conductor is its large bandgap of 3.2 eV. Several non-metals have been doped experimentally for…
We report on the mechanical properties of few-layer black phosphorus (BP) nanosheets, in high vacuum and as a function of time of exposure to atmospheric conditions [1]. BP flakes with thicknesses ranging from 4 to 30 nm suspended over…
The physical behaviour of anisotropic charged colloids is determined by their material dielectric anisotropy, affecting colloidal self-assembly, biological function and even out-of-equilibrium behaviour. However, little is known about…
We use the Local Density Approximation in combination with the Dynamical Mean Field Theory to investigate intermediate energy properties of the copper oxides. We identify coherent and incoherent spectral features that results from doping a…
Black phosphorus thin films might offer attractive alternatives to narrow gap compound semiconductors for optoelectronics across mid- to near-infrared frequencies. In this work, we calculate the optical conductivity tensor of multilayer…
Newly fabricated monolayer phosphorene and its few-layer structures are expected to be promising for electronic and optical applications because of their finite direct band gaps and sizable but anisotropic electronic mobility. By…
Atomic layers of black phosphorus (P) isolated from its layered bulk make a new two-dimensional (2D) semiconducting crystal with sizable direct bandgap, high carrier mobility, and promises for 2D electronics and optoelectronics. However,…
We show that the optical and electronic properties of nanocrystalline silicon can be efficiently tuned using impurity doping. In particular, we give evidence, by means of ab-initio calculations, that by properly controlling the doping with…
Recently, black phosphorus (BP) has joined the two dimensional material family as a promising candidate for photonic applications, due to its moderate bandgap, high carrier mobility, and compatibility with a diverse range of substrates.…
The room temperature carrier mobility in atomically thin 2D materials is usually far below the intrinsic limit imposed by phonon scattering as a result of scattering by remote charged impurities in its environment. We simulate the charged…