相关论文: Complex diffusion mechanism of Zn in InP
Understanding the structure of ZnO surface reconstructions and their resultant properties is crucial to the rational design of ZnO-containing devices ranging from optoelectronics to catalysts. Here, we are motivated by recent experimental…
The formation energies and electronic structure of europium doped zinc oxide has been determined using DFT and many-body $GW$ methods. In the absence of intrisic defects we find that the europium-$f$ states are located in the ZnO band gap…
Dislocation motion--the atomic-scale mechanism of crystal plasticity--governs the strength and ductility of materials. In functional materials, external stimuli beyond mechanical stress can also affect dislocation glide. In the wide band…
We develop a self-consistent theory describing the spin and spatial electron diffusion in the impurity band of doped semiconductors under the effect of a weak spin-orbit coupling. The resulting low-temperature spin-relaxation time and…
The control over the structural homogeneity is of paramount importance for ternary nitride compounds - the second most important semiconducting material-class after Si, due to its unrivalled applicability in optoelectronics, and high…
The complex permittivity of conducting polyaniline and zeolite - polyaniline blends was measured in the frequency range 0.01 to 2000000 Hz from room temperature to liquid nitrogen temperature. A loss peak is detected for 25, 35 and 50 wt %…
The structural stability of thermoelectric materials is a subject of growing importance for their energy harvesting applications. Here, we study the microscopic mechanisms governing the structural stability change of zinc antimony at its…
The chemical states of the ZnGeP$_{2}$:Mn interface, which shows ferromagnetism above room-temperature, has been studied by photoemission spectroscopy. Mn deposition on the ZnGeP$_2$ substrate heated to 400$^{\circ}$C induced Mn…
A density functional theory study of substitutional carbon impurities in ZnO has been performed, using both the generalized gradient approximation (GGA) and a hybrid functional (HSE06) as exchange-correlation functional. It is found that…
First-principles calculations based on density functional theory have been carried out to understand the mechanism of fabricating As-doped p-type ZnO semiconductors. It has been confirmed that AsZn-2VZn complex is the most plausible…
In this work, we report the combined effect of donor (Nd) and acceptor (Li) co-doping at the Zn-site of ZnO ceramics on structural, microstructural and dielectric properties. Combining experimental observations with DFT based theoretical…
Diffusion mechanism of beryllium in gallium nitride was investigated by analyzing temperature-dependent diffusion profiles from an infinite source. Beryllium atoms were implanted into a high structural quality gallium nitride layer…
In a variety of different systems, high-Z ion species show a marked tendency to accumulate in regions of high plasma density. It has previously been suggested that the apparent universality of this behavior could be explained…
Mn doped semiconductors are extremely interesting systems due to their novel magnetic properties suitable for the spintronics applications. It has been shown recently by both theory and experiment that Mn doped GaN systems have a very high…
Undoped and Mn doped ZnO samples with different percentage of Mn content (1 mol%, 2 mol% and 3mol%) were synthesized by a simple solvo-thermal method. We have studied the structural, chemical and optical properties of the samples by using…
This work explores the Zn vacancy in ZnO using hybrid density functional theory calculations. The Zn vacancy is predicted to be an exceedingly deep polaronic acceptor that can bind a localized hole on each of the four nearest-neighbor O…
Sub-monolayer physical layer deposition of Zn on Ag(111) substrate at room temperature is investigated using Auger electron spectroscopy, low energy electron diffraction and scanning tunneling microscopy. We identified an original Zn…
We present the results of a computational study of ZnO in the presence of Co and Mn substitutional impurities. The goal of our work is to identify potential ferromagnetic ground states within the (Zn,Co)O or (Zn,Mn)O material systems that…
Due to their favorable properties and high porosity, zeolitic imidazolate frameworks (ZIFs) have recently received much limelight for key technologies such as energy storage, optoelectronics, sensorics, and catalysis. Despite the widespread…
In situ Eu-doped {ZnCdO/ZnO}30 multilayer systems were grown on p-type Si-substrates and on quartz substrates by plasma-assisted molecular beam epitaxy. Various Eu concentrations in the samples were achieved by controlling temperature of…