相关论文: Si/SiO$_\text{2}$ MOSFET Reliability Physics: From…

Oxide electronics provide the key concepts and materials for enhancing silicon-based semiconductor technologies with novel functionalities. However, a basic but key property of semiconductor devices still needs to be unveiled in its oxidic…

All-solid-state batteries fail not only by bulk transport limits, but by a reactive interface that evolves during cycling. We show that degradation is governed by two coupled processes: interfacial breathing, the cycle-scale oscillation of…

Based on renormalization-group (RG) calculations, a recent Letter by Zhao et al [Phys. Rev. Lett. 127, 176601 (2021)] claimed that three-dimensional second-order topological insulators (SOTIs) are always unstable to the Coulomb interaction…

In two previous papers the author described ``Islands of Instability" that may appear in wavefunction models with nonlinear evolution (of a type proposed originally in the context of the Measurement Problem). Such ``IsoI" represent a new…

Ni-doped MoS$_2$ is a layered material with useful tribological, optoelectronic, and catalytic properties. Experiment and theory on doped MoS$_2$ has focused mostly on monolayers or finite particles: theoretical studies of bulk Ni-doped…

Mo$_8$O$_{23}$ is a low-dimensional chemically robust transition metal oxide coming from a prospective family of functional materials, MoO$_{3-x}$, ranging from a wide gap insulator $(x=0)$ to a metal $(x=1)$. The large number of…

Using first-principles method within the framework of the density functional theory, we study the influence of native point defect on the structural and electronic properties of Bi$_2$Se$_3$. Se vacancy in Bi$_2$Se$_3$ is a double donor,…

The field-effect-induced modulation of transport properties of 2-dimensional electron gases residing at the LaAlO$_3$/SrTiO$_3$ and LaGaO$_3$/SrTiO$_3$ interfaces has been investigated in a back-gate configuration. Both samples with…

Applications like high density information storage, neuromorphic computing, nanophotonics, etc. require ultra-thin electronic devices which can be controlled with applied electric field. Of late, atomically thin two-dimensional (2D)…

Cathode materials undergo various phase transitions during the charge/discharge process, and the structural transitions significantly affect the battery performance. Although phonon properties can provide a direct clue for structural…

The inter-device mismatch and intra-device temporal instability in the nanoscale CMOS circuits is examined from a unified point of view as a static and dynamic parts of the variability con-cerned with stochastic oxide charge trapping and…

As a newly identified single-crystalline van der Waals dielectric with a high dielectric constant, Bi2SeO5 plays a pivotal role in advancing 2D electronic devices. In this work, we systematically investigate the defect properties of Bi2SeO5…

Defects can strongly influence the electronic, optical and mechanical properties of 2D materials, making defect stability under different thermodynamic conditions crucial for material-property engineering. In this paper, we present an…

Based on first-principles calculations, we have investigated the structural stability, electronic structures, and thermal properties of the monolayer XSi2N4 (X= Ti, Mo, W) and their lateral (LH) and vertical heterostructures (VH). We find…

While defects such as oxygen vacancies in correlated materials can modify their electronic properties dramatically, understanding the microscopic origin of electronic correlations in materials with defects has been elusive. Lanthanum…

Scalability and performance of current flash memories can be improved substantially by replacing the floating poly-Si gate by a layer of Si dots. This multi-dot layer can be fabricated CMOS-compatibly in very thin gate oxide by ion beam…

The negatively charged silicon vacancy ($\mathrm{V_{Si}^-}$) in silicon carbide is a well-studied point defect for quantum applications. At the same time, a closer inspection of ensemble photoluminescence and electron paramagnetic resonance…

We present a phase-resolved investigation of Ni-based oxides and hydroxides relevant to the oxygen evolution reaction (OER), combining ground-state DFT+U calculations with operando and in situ Raman spectroscopy, supported by…

We employ the density functional theory to study a structural transition of MnO from B1 (rocksalt) to B8 (NiAs) structures that was observed experimentally at pressures around 100 GPa. We utilize all-electron description as well as…

Two-dimensional (2D) semiconductors offer a promising prospect for high-performance and energy-efficient devices especially in the sub-10 nm regime. Inspired by the successful fabrication of 2D $\beta$-TeO$_2$ and the high on/off ratio and…