相关论文: A multi-scale approach to the electronic structure…

Employing virtual crystal approximation and super-cell methods for doping, we have performed a comparative study of the electronic structures of various doped BaFe$_2$As$_2$ materials by first principles simulations. Both of these methods…

We suggest a new type of substrates for the Surface Enhanced Raman Scattering measurements with the geometry based on self-similar fractal space filling curves. As an example, we have studied theoretically the dielectric response properties…

Semi-supervised learning on class-imbalanced data, although a realistic problem, has been under studied. While existing semi-supervised learning (SSL) methods are known to perform poorly on minority classes, we find that they still generate…

Cell recognition is a fundamental task in digital histopathology image analysis. Point-based cell recognition (PCR) methods normally require a vast number of annotations, which is extremely costly, time-consuming and labor-intensive.…

In the tasks of image aesthetic quality evaluation, it is difficult to reach both the high score area and low score area due to the normal distribution of aesthetic datasets. To reduce the error in labeling and solve the problem of normal…

Real-space mapping of doping concentration in semiconductor devices is of great importance for the microelectronic industry. In this work, a scanning microwave impedance microscope (MIM) is employed to resolve the local conductivity…

Singlet fission (SF) is a multi-exciton generation process that could be harnessed to improve the efficiency of photovoltaic devices. Experimentally, systems derived from the pentacene molecule have been shown to exhibit ultrafast SF with…

The idea of using fragment embedding to circumvent the high computational scaling of accurate electronic structure methods while retaining high accuracy has been a long-standing goal for quantum chemists. Traditional fragment embedding…

We report a multiscale approach of broad applicability to stochastic reconstruction of multiphase materials, including porous ones. The approach devised uses an optimization method, such as the simulated annealing (SA) and the so-called…

Electron-doped cuprates require not only electron doping by chemical substitution but also post-growth reduction annealing for realizing superconductivity. However, electron concentration can also be varied by reduction annealing, making it…

Microscopy (STM). At all dopings, the low energy density-of-states modulations are analyzed according to a simple model of quasiparticle interference and found to be consistent with Fermi-arc superconductivity. The superconducting…

One of the goals in the development of large scale electronic structure methods is to perform calculations explicitly for a localised region of a system, while still taking into account the rest of the system outside of this region. An…

The surface molecular doping of organic semiconductors can play an important role in the development of organic electronic or optoelectronic devices. Single-crystal rubrene remains a leading molecular candidate for applications in…

Degenerately doped semiconductor nanocrystals (NCs) exhibit a localized surface plasmon resonance (LSPR) in the infrared range of the electromagnetic spectrum. Unlike metals, semiconductor NCs offer tunable LSPR characteristics enabled by…

Angle resolved photoemission (ARPES) data from the electron doped cuprate superconductor Sm$_{1.86}$Ce$_{0.14}$CuO$_4$ shows a much stronger pseudo-gap or "hot-spot" effect than that observed in other optimally doped $n$-type cuprates.…

Density functional calculations are used to investigate the doping dependence of the electronic structure and magnetic properties in hexagonal Na$_x$CoO$_2$. The electronic structure is found to be highly two dimensional, even without…

Modifying the optoelectronic properties of nanostructured materials through introduction of dopant atoms has attracted intense interest. Nevertheless, the approaches employed are often trial and error, preventing rational design. We…

Targeted Radionuclide Therapy (TRT) is a modern strategy in radiation oncology that aims to administer a potent radiation dose specifically to cancer cells using cancer-targeting radiopharmaceuticals. Accurate radiation dose estimation…

Pseudocapacitors are energy-storage devices characterized by fast and reversible redox reactions that enable them to store large amounts of electrical energy at high rates. We simulate the response of pseudocapacitive electrodes under…

The underdoped cuprate superconductors are characterized by the opening of the pseudogap, while such an aspect of the pseudogap effect should be reflected in the low-energy electronic structure (LEES). Here the effect of the pseudogap on…