相关论文: Theoretical Study on MR-TADF Materials Based on Cz…

We present \textsc{dm-PhiSNet}, a physically constrained \textsc{PhiSNet}-based equivariant model that predicts one-electron reduced density matrices (1-RDMs) directly from molecular geometries in an atomic-orbital (AO) basis for…

The incorporation of o-MAX phases, characterized by out-of-plane atomic arrangements, provides valuable extensions to the MAX phase family, driven by their superior thermomechanical properties, which are suitable for high-temperature…

Morphotropic phase boundaries (MPBs) show substantial piezoelectric and dielectric responses, which have practical applications. The predicted existence of MPB in HfO2-ZrO2 solid solution thin film has provided a new way to increase the…

We investigate the electronic structure of SrMnO$_3$ with Density Functional Theory (DFT) plus Dynamical Mean-Field Theory (DMFT). Within this scheme the selection of the correlated subspace and the construction of the corresponding Wannier…

Superconducting terahertz (THz) metamaterial (MM) made from superconducting Nb film has been investigated using a continuous-wave THz spectroscopy with a superconducting split-coil magnet. The obtained quality factors of the resonant modes…

Wide band gap materials are particularly relevant at high temperatures. The band gap shrinkage at higher temperatures prevents device applications with narrow band gap semiconductors. Considering $\alpha$-phase strontium cyanurate as a…

Machine learning (ML) can facilitate efficient thermoelectric (TE) material discovery essential to address the environmental crisis. However, ML models often suffer from poor experimental generalizability despite high metrics. This study…

This paper aims to study the reflection characteristics of optical beams in a hybrid graphene-hexagonal Boron Nitride (hBN)-graphene structure, which has been located on SiO2-Si layers. An analytical model is presented to derive the…

Low-lying excited states for indeno[1,2-b]fluorene homo dimers with or without benzene spacers are calculated using the Density Matrix Renormalization group (DMRG) approach within Pariser-Parr-Pople (PPP) model Hamiltonian. DMRG…

In this work, we propose novel van der Waals (vdW) heterostructures composed of Xenes, transition metal dichalcogenides (TMDCs), phosphorene, and transition metal trichalcogenides (TMTCs), which are separated by insulating hexagonal boron…

We report on the results of simulations of the terahertz response of a split ring resonator (SRR) metamaterial coupled to a hypothetical antiferromagnetic material characterized by a magnon resonance. The simulations were done using finite…

N-continuous orthogonal frequency division multiplexing (NC-OFDM) is a promising technique to obtain significant sidelobe suppression for baseband OFDM signals, in future 5G wireless communications. However, the precoder of NC-OFDM usually…

In this study, a time-domain reflectometry (TDR) system based on a baseband version of the orthogonal chirp-division multiplexing (OCDM) scheme, which is relies on a modified discrete Fresnel transform (DFnT), is proposed for power line…

We present in this letter terahertz (THz) metamaterials with low ohmic losses made from low-temperature superconductor niobium nitride (NbN) films. The resonance properties are characterized by THz time-domain spectroscopy. The unloaded…

Magnet error driven resonances under space-charge-induced resonance crossing represents a significant limitation on beam intensity in low-injection-energy high-intensity synchrotrons. Unstable particle motion arises from the combined…

Frequency multiplication of terahertz signals on a solid state platform is highly sought-after for the next generation of high-speed electronics and the creation of frequency combs. Solutions to efficiently generate extreme harmonics (up to…

Broad beam beamforming (BF) design in multiple-input multiple-output (MIMO) can be convenient for initial access, synchronization, and sensing capabilities in cellular networks by avoiding overheads of sweeping methods while making…

The accurate description of the non-linear response of many-electron systems to strong-laser fields remains a major challenge. Methods that bypass the unfavorable exponential scaling with particle number are required to address larger…

In a recent work [1] we presented results for the Bose-Fermi-Hubbard model (BFHM) in the limit of ultrafast fermions. The present work gives an overview over the used methods and an deeper insight into the implications arising from the…

A novel OFDM-based waveform with low peak-to-average power ratio (PAPR) and high robustness against phase noise (PN) is presented. It follows the discrete Fourier transform spread orthogonal frequency division multiplexing (DFT-s-OFDM)…