相关论文: Analysis of Strain Fields in Silicon Nanocrystals

The fabrication of complex nano-scale structures, which is a crucial step in the scaling of (nano) electronic devices, often leads to residual stress in the different layers present. This stress gradient can change many of the material…

Silicon nanocrystals with diameters between 1 and 3 nm and surfaces passivated by chlorine or a mixture of chlorine and hydrogen were modeled using density functional theory, and their properties compared with those of fully hydrogenated…

Identifying the three-dimensional (3D) crystal-plane and strain-field distributions of nanocrystals is essential for optical, catalytic, and electronic applications. Here, we developed a methodology for visualizing the 3D information of…

Strain in a material induces shifts in vibrational frequencies, which is a probe of the nature of the vibrations and interatomic potentials, and can be used to map local stress/strain distributions via Raman microscopy. This method is…

The absorption spectra of silicon nanowires (SiNW) are calculated using semi-empirical $sp^{3}d^{5}s^{*}$ tight binding (TB) and Density Functional Theory (DFT) methods. The role of diameter, wave function symmetry, strain and…

It is widely accepted that the properties of most semiconductor nanocrystals can be tuned by their core size, shape and material. In covalent semiconductor nanocrystal materials, such as silicon, germanium or carbon, certain degree of…

The exciton states of strained CdTe/CdS core-shell tetrapod-shaped nanocrystals were theoretically investigated by the numerical diagonalization of a configuration interaction Hamiltonian based on the single-band effective mass…

Strain engineering in Sn-rich group IV semiconductors is a key enabling factor to exploit the direct band gap at mid-infrared wavelengths. Here, we investigate the effect of strain on the growth of GeSn alloys in a Ge/GeSn core/shell…

One of the fascinating properties of the new families of two-dimensional crystals is their high stretchability and the possibility to use external strain to manipulate, in a controlled manner, their optical and electronic properties. Strain…

Nanocrystalline materials exhibit properties that can differ substantially from those of their single crystal counterparts. As such, they provide ways to enhance and optimise their functionality for devices and applications. Here we report…

An atomistic model based on the Keating potential and the conjugate gradient method are used for simulation of the strain fields for single Ge/Si quantum dots. Calculations are performed in the cluster approximation using clusters…

The absorption and emission spectra of silicon nanocrystals up to 1 nm diameter including geometry optimization and the many-body effects induced by the creation of an electron-hole pair have been calculated within a first-principles…

On basis of the first principle calculation we show that a crystalline structure of silicon, as a novel allotrope with nanotubular holes along two perpendicular directions, is stable. The calculations on geometrical and electronic…

Moderate amount of bending strains, ~3% are enough to induce the semiconductor-metal transition in Si nanowires of ~4nm diameter. The influence of bending on silicon nanowires of 1 nm to 4.3 nm diameter is investigated using molecular…

We introduce a general method which allows reconstruction of electronic band structure of nanocrystals from ordinary real-space electronic structure calculations. A comprehensive study of band structure of a realistic nanocrystal is given…

The lattice mismatch strain field of core/multishell structures with spherical symmetry is modeled by a linear continuum elasticity approach. The effect of the strain on the energy structure and linear optical absorption in large…

The sensitive correlation between optical parameters and strain in Mo$S_2$ results in a totally different approach to tune the optical properties. Usually, an external source of strain is employed to monitor the optical and vibrational…

Single-crystal nanoparticles of silicon, several tens of nm in diameter, may be suitable as building blocks for single-nanoparticle electronic devices. Previous studies of nanoparticles produced in low-pressure plasmas have demonstrated the…

Controlling the strain level in nanowire heterostructures is critical for obtaining coherent interfaces of high crystalline quality and for the setting of functional properties such as photon emission, carrier mobility or piezoelectricity.…

Strain and composition play a fundamental role in semiconductor physics, since they are means to tune the electronic and optical properties of a material and hence develop new devices. Today it is still a challenge to measure strain in…