Related papers: Microscopic study of the He2-SF6 trimers
We compare theoretical results for electron spin resonance (ESR) properties of the Heisenberg-Ising Hamiltonian with ESR experiments on the quasi-one-dimensional magnet Cu(py)$_2$Br$_2$ (CPB). Our measurements were performed over a wide…
We have investigated the electronic structure of Ba4NbIr3O12 within the density-functional theory (DFT) using the generalized gradient approximation while considering strong Coulomb correlations (GGA+U) in the framework of the fully…
We study the crossover from the one-dimensional to the two-dimensional Hubbard model in the photoemission spectra of weakly coupled chains. The chains with on-site repulsion are treated using the spin-charge factorized wave function, that…
A systematic method for determining correlated wavefunctions of extended systems in the ground and excited states is presented. It allows to fully exploit the power of quantum-chemical programs designed for correlation calculations of…
The isospectrality problem is studied for the operator of the spherical hydromagnetic alpha^2-dynamo. It is shown that this operator is formally pseudo-Hermitian (J-symmetric) and lives in a Krein space. Based on the J-symmetry, an operator…
A magneto electric (ME) effect was reported [1] for the insulator material of helimagnetic hexaferrite of Sr1.5Ba0.5Zn2Fe12O22. In this study we are interested in investigating this materials ferromagnetic resonance to define its internal…
The intermetallic Mn-phase, which precipitates in steels and superalloys, can noticeably soften the mechanical properties of their matrix. Despite the importance of developing superalloys and steels, the thermodynamic properties and…
Nanoscale ferroelectric 2D materials offer unique opportunity to investigate curvature and strain effects on materials functionalities. Among these, CuInP2S6 (CIPS) has attracted tremendous research interest in recent years due to…
There is an increasing reckoning that the thermoelectric performance of a material is dependent on its microstructure. However, the microstructure-properties relationship often remains elusive, in part due to the complexity of the hierarchy…
The $\mathbb{Z}_2$ topological phase in the quantum dimer model on the Kagom\'e-lattice is a candidate for the description of the low-energy physics of the anti-ferromagnetic Heisenberg model on the same lattice. We study the extend of the…
Correlation functions of dimer operators, the product operators of spins on two adjacent sites, are studied in the spin-$\frac{1}{2}$ XXZ chain in the critical regime. The amplitudes of the leading oscillating terms in the dimer correlation…
Electric dipole ($E1$) response of $^{6}$He is studied with a fully microscopic six-body calculation. The wave functions for the ground and excited states are expressed as a superposition of explicitly correlated Gaussians (CG). Final state…
Moir\'e heterobilayers exhibiting spatially varying band alignment and electron and hole localization that can be precisely controlled through the twist angle have emerged as exciting platforms for studying complex quantum phenomena. While…
This work is concerned with the spectral analysis of a piezoelectric energy harvesting model based on a coupled bending-torsion beam. After building the problem's operator setting and showing that the governing operator is nonselfadjoint…
We present a spectroscopic investigation into the vibrational and optoelectronic properties of WS2 domes in the 0-0.65 GPa range. The pressure evolution of the system morphology, deduced by the combined analysis of Raman and…
Controlling interlayer excitons in van der Waals heterostructures holds promise for exploring Bose-Einstein condensates and developing novel optoelectronic applications, such as excitonic integrated circuits. Despite intensive studies,…
We synthesized the liquid crystal dimer and trimer members of a series of flexible linear oligomers and characterized their microscopic and nanoscopic properties using resonant soft x-ray scattering and a number of other experimental…
The mechanical performance of reinforced composites is strongly influenced at different scales by the stress transferred at the matrix-fibre interfaces and at any surface where material discontinuity occurs. In particular, the mechanical…
We study the low-energy corrections to the holographic entanglement entropy (HEE) in the boundary CFT by perturbing the bulk geometry up to second order excitations. Focusing on the case that the boundary subsystem is a strip, we show that…
We study the entanglement spectrum of Heisenberg spin ladders of arbitrary spin length S in the perturbative regime of strong rung coupling. For isotropic spin coupling the the entanglement spectrum is, within first order perturbation…