相关论文: Quantum Geometric Origin of Strain-Induced Ferroel…
We present an inexpensive first-principles approach for describing quantum paraelectricity that combines density functional theory (DFT) treatment of the electronic subsystem with quantum mechanical treatment of the ions through solution of…
The shortcomings of mono-component systems, e.g., the gapless nature of graphene, the lack of air-stability in phosphorene, etc. have drawn great attention toward stacked materials expected to show interesting electronic and optical…
In two-dimensional layered quantum materials, the stacking order of the layers determines both the crystalline symmetry and electronic properties such as the Berry curvature, topology and electron correlation. Electrical stimuli can…
Density functional theory (DFT) can run into serious difficulties with localized states in elements such as transition metals with occupied-d states and oxygen. In contrast, Hartree-Fock (HF) method can be a better approach for such…
Since their discovery, graphene-based systems represent an exceptional playground to explore the emergence of peculiar quantum effects. The present paper focuses on the anomalous appearence of strong infrared phonon resonances in the…
Polycrystalline hcp metals - an important class of engineering materials - typically exhibit complex plasticity because of a limited number of slip systems. Among these metals, deformation is even more complicated in cobalt as it commonly…
Dielectric response as a function of frequency for high-permittivity dielectric and ferroelectric materials is discussed emphasizing the dynamic behaviour in the microwave and infrared range. After introducing the usual modelling of the…
In their work, Yan et al. [Phys. Rev. B 88, 121403 (2013)] employing density functional perturbation theory (DFPT) calculations, demonstrate that silicene and germanene show weaker Kohn anomalies in the $\Gamma$-$E_g$ and $K$-$A_1$ phonon…
While antiferromagnetic magnons in two-dimensional (2D) materials hold immense promise for high-frequency spintronics, achieving their efficient active control remains a critical challenge. Here, we propose a universal mechanism for the…
Domain switching is the cornerstone of ferroelectric materials. Most associated functionalities can be tuned via domain switching, including but not limited to piezoelectricity, thermal conductivity, domain wall conductivity and topological…
Topological effects arising from the Berry curvature lead to intriguing transport signatures in quantum materials. Two such phenomena are the chiral anomaly and nonlinear Hall effect (NLHE). A unified description of these transport regimes…
Nonlinear phononics holds the promise for controlling properties of quantum materials on the ultrashort timescale. Using nonequilibrium dynamical mean-field theory, we solve a model for the description of organic solids, where correlated…
Full experimental control of local spin-charge interconversion is of primary interest for spintronics. Heterostructures combining graphene with a strongly spin-orbit coupled two-dimensional (2D) material enable such functionality by design.…
A mechanism for phonon Hall effect (PHE) in non-magnetic insulators under an external magnetic field is theoretically studied. PHE is known in (para)magnetic compounds, where the magnetic moments and spin-orbit interaction play an essential…
We develop an approximate theory of phonon-induced topological insulation in Dirac materials. In the weak coupling regime, long wavelength phonons may favor topological phases in Dirac insulators with direct and narrow bandgaps. This…
The general idea of using ultrashort light pulses to control ferroic order parameters has recently attracted attention as a means to achieve control over material properties on unprecedented time scales. Much of the challenge in such work…
Raman scattering in the spin-crossover system [Fe(pmd)(H2O){Au(CN)2}2]*H2O reveals a complex three-phase spin-state transition in contrast to earlier observations in magnetization measurements. We observe different spin state phases as…
The Peierls instability in one-dimensional electron-phonon systems is known to be qualitatively well described by the Mean-Field theory, however the related self-consistent problem so far has only been able to predict a partial suppression…
Pyroelectricity is a very promising phenomenon in three- and two-dimensional (2D) materials, but first-principles calculations have not so far been used to elucidate the underlying mechanisms. Here we report density-functional theory (DFT)…
An impedance spectroscopy (IS) is a versatile tool to study the effect of grains (bulk), grain boundaries and electrode-electrolyte interface on dielectric and electrical properties of electro-ceramics. This study only focuses the high…