相关论文: Intrinsic breakdown strength: theoretical derivati…

The electromagnetic local density of states (LDOS) is crucial to many aspects of photonics engineering, from enhancing emission of photon sources to radiative heat transfer and photovoltaics. We present a framework for evaluating upper…

Accurate electronic bandstructures of solids are indispensable for a wide variety of applications and should provide a sound prediction of phonon-induced band gap renormalization at finite temperatures. We employ our previously introduced…

The electronic properties of the twisted InSe bilayer are studied by large-scale density functional theory. Spectral Function Unfolding reveals that the electronic structure of the twisted system can be described in terms of a combination…

Electron accumulation in interatomic regions is a fundamental quantum phenomenon dictating chemical bonding and material properties, yet its origin remains elusive across disciplines. Here, we report a quantum accumulation effect --…

We investigate the possibility of band structure engineering in the recently predicted 2D layered form of blue phosphorus via an electric field (E$_z$) applied perpendicular to the layer(s). Using density functional theory, we study the…

In this work an overall electronic structure including the position and formation energies of various intrinsic defects are computed for anatase using Density Functional Theory aided by Hubbard correction (DFT+U). The intrinsic point…

Design of large composite structures requires understanding the scaling of their mechanical properties, an aspect often overlooked in the literature on composites. This contribution analyzes, experimentally and numerically, the…

Flexoelectricity is a form of electromechanical coupling that has recently emerged because, unlike piezoelectricity, it is theoretically possible in any dielectric material. Two-dimensional (2D) materials have also garnered significant…

The energy band structure and energy splitting due to quantum tunneling in two weakly linked Bose-Einstein condensates were calculated by using the instanton method. The intrinsic coherent properties of Bose Josephson junction were…

Metal-insulator transition materials such as NbO2 have generated much excitement in recent years for their potential applications in computing and sensing. NbO2 has generated considerable debate over the nature of the phase transition, and…

The existence of large nonlinear optical coefficients is one of the preconditions for using nonlinear optical materials in nonlinear optical devices. For a crystal, such large coefficients can be achieved by matching photon energies with…

A two-band model with repulsive interband coupling and interband {\it transport} (potential) scattering is considered to elucidate their effects on material properties. In agreement with previous work, we find that the bands order…

As exposure to electromagnetic waves becomes increasingly widespread, it is important to quantify how incident fields couple into biological tissue and where absorbed energy is deposited. This work presents an analytical, physics based…

Networks of interconnected materials permeate throughout nature, biology, and technology due to exceptional mechanical performance. Despite the importance of failure resistance in network design and utility, no existing physical model…

A way to represent the band structure that distinguishes between energy-momentum and energy-crystal momentum relationships is proposed upon the band-unfolding concept. This momentum-resolved band structure offers better understanding of the…

In this work we theoretically explore the effect of dimensionality on the thermoelectric power factor of InAs nanowires by coupling atomistic tight-binding calculations to the Linearized Boltzmann transport formalism. We consider nanowires…

The study of the response of superconducting hybrid structures with magnetic materials to microwave irradiation is necessary for the development of effective superconducting spintronic devices. The role of the magnetic proximity effect…

The first part of this article centers on the fact that key features of the dynamical response of weakly-correlated materials (the alkalis, Al), have been found experimentally to differ qualitatively from simple-model behavior. In the…

We use magneto-conductivity to study the magnetic proximity effect on surface states of doped topological insulators. Our bilayers consist of a layer of Fe$_7$Se$_8$, which is a metallic ferrimagnet and a layer of…

We present atomistic calculations on structural and electronic properties of twisted double bilayer graphene (TDBG) consisting of two sets of rotationally misaligned Bernal-stacked bilayer graphene. Obtained equilibrium atomic structures…