相关论文: The properties of amorphous GaN

GaN is a wide-bandgap semiconductor used in high-efficiency LEDs and solar cells. The solid is produced industrially at high chemical purities by deposition from a vapour phase, and oxygen may be included at this stage. Oxidation represents…

Exponential band edges have been observed in a variety of materials, both crystalline and amorphous. In this paper, we infer the structural origins of these tails in amorphous and defective crystalline Si by direct calculation with current…

In molecular electronic conduction, exotic lattice morphologies often give rise to exotic behaviors. Among 2D systems, graphene is a notable example. Recently, a stable amorphous version of graphene called Monolayer Amorphous Carbon (MAC)…

Experimentally, Raman continuum for $A_g$ and $B_g$ geometry exhibits peaks far apart from each other (about 80 to 150 $\rm cm^{-1}$) in frequency. The former is insensitive to doping over a small range where $T_c$ does not vary much…

The electronic and optical properties of self-trapped holes in kappa-phase orthorhombic Ga2O3 in conjunction with isoelectronic and acceptor dopants were studied using hybrid density functional theory. Hole trapping was found to be…

The goal of anomaly detection is to identify anomalous samples from normal ones. In this paper, a small number of anomalies are assumed to be available at the training stage, but they are assumed to be collected only from several anomaly…

High spin states of cation vacancies in GaP, GaN, AlN, BN, ZnO and BeO were analyzed by first principles calculations. The spin-polarized vacancy-induced level is located in the band gap in GaP, ZnO and BeO. In the nitrides, the stronger…

Generative adversarial networks (GANs) have been extremely effective in approximating complex distributions of high-dimensional, input data samples, and substantial progress has been made in understanding and improving GAN performance in…

Using the recently-proposed ``activation-relaxation technique'' for optimizing complex structures, we develop a structural model appropriate to a-GaAs which is almost free of odd-membered rings, i.e., wrong bonds, and possesses an almost…

Quantum spin Hall effect is endowed with topologically protected edge modes with gapless Dirac spectrum. Applying a magnetic field locally along the edge leads to a gapped edge spectrum with opposite parity for winding of spin texture for…

Ovonic threshold switching (OTS) selectors play a critical role in non-volatile memory devices because of their nonlinear electrical behavior and polarity-dependent threshold voltages. However, the atomic-scale origins of the defect states…

Generative adversarial networks (GANs) are a class of machine-learning models that use adversarial training to generate new samples with the same (potentially very complex) statistics as the training samples. One major form of training…

Generative adversarial networks (GANs) are very popular to generate realistic images, but they often suffer from the training instability issues and the phenomenon of mode loss. In order to attain greater diversity in GAN synthesized data,…

We present a simple model of the local order in amorphous organic semiconductors which naturally produces a spatially correlated exponential density of states (DOS). The dominant contribution to the random energy landscape is provided by…

Modern microelectronic devices are composed of interfaces between a large number of materials, many of which are in amorphous or polycrystalline phases. Modeling such non-crystalline materials using first-principles methods such as density…

Various types of topological defects in graphene are considered in the framework of the continuum model for long-wavelength electronic excitations, which is based on the Dirac--Weyl equation. The condition for the electronic wave function…

Generative adversarial networks (GANs) have shown promise for various problems including anomaly detection. When anomaly detection is performed using GAN models that learn only the features of normal data samples, data that are not similar…

The revealing properties of transition metal (T)-doped graphene systems are investigated with the use of the first-principles method. The detailed calculations cover the bond length, position and height of adatoms, binding energy,…

We investigate edge properties of a gapful rectangular graphene quantum dot in a staggered potential. In such a system gap states with discrete and closely spaced energy levels exist that are spatially located on the left or right zigzag…

One of the most discussed issues in graph generative modeling is the ordering of the representation. One solution consists of using equivariant generative functions, which ensure the ordering invariance. After having discussed some…