相关论文: A Piezoelectric Molecular Cocrystal with Unconvent…
The surface of a three-dimensional topological electron system often hosts symmetry-protected gapless surface states. With the effect of electron interactions, these surface states can be gapped out without symmetry breaking by a surface…
Ferroelectric thin films under epitaxial strain exhibit a variety of vortex-like topological polarization textures. To analyze them, we build on the Ginzburg-Landau-Devonshire framework and extend the previously introduced soft-domain…
We present a novel approach to electron-lattice interaction beyond the linear-coupling regime. Based on the solution of a Holstein-Peierls-type model, we derive explicit analytical expressions for the eigenvalue spectrum of the Hamiltonian,…
The low-frequency vibrational spectrum of an isolated nanometer-scale solid differs dramatically from that of a bulk crystal, causing the decay of a localized electronic state by phonon emission to be inhibited. We show, however, that an…
We report a study of properties of Mn-doped NBT-6%BT single crystals. We show that tetragonal single domain states can be stabilized by poling along a [001] direction. For carefully prepared crystals, the piezoelectric coefficient d33 can…
The wealth of complex polar topologies recently found in nanoscale ferroelectrics result from a delicate balance between the materials intrinsic tendency to develop a homogeneous polarization and the electric and mechanic boundary…
The statistical theory of the dipole flexoelectric (FE) polarization in liquid crystals is used to calculate the temperature dependence of order parameters, the elastic constants and the FE coefficients. Two systems with polar wedge-shaped…
Controlling the crystalline structure of Hafnium Zirconate and its epitaxial relationship to a semiconducting electrode has a high technological interest, as ferroelectric materials are key ingredients for emerging electronic devices. Using…
Perovskite metal-organic frameworks (MOFs) have recently emerged as potential candidates for multiferroicity. However, the compounds synthesized so far possess only weak ferromagnetism and low polarization. Additionally, the very low…
Organic semiconductors have the remarkable property that their optical excitation not only generates charge-neutral electron-hole pairs (excitons) but also charge-separated polaron pairs with high yield. The microscopic mechanisms…
The phonon and electronic properties, the Eliashberg function and the temperature dependence of resistance of electride Ca2N are investigated by the DFT-LDA plane-wave method. The phonon dispersion, the partial phonon density of states and…
Experimental results on Bi2FeCrO6 (BFCO) epitaxial films deposited by laser ablation on SrTiO3 substrates are presented. It has been theoretically predicted using first-principles density functional theory that BFCO is ferrimagnetic (with a…
Organic molecular crystals are ideally placed to become next-generation piezoelectric materials due to their diverse chemistries that can be used to engineer tailor-made solid-state assemblies. Using crystal engineering principles, and…
Two-dimensional ferromagnetic (2D FM) half-metal holds great potential for quantum magnetoelectronics and spintronic devices. Here, using density functional calculations and magnetic pictures, we study the electronic structure and magnetic…
Two-dimensional (2D) transition metal dinitride (HfN2) has been studied for their optoelectronic, piezoelectric, and thermoelectric properties. Both monolayer and bilayer of HfN2 were studied using density functional theory (DFT) and…
3$d$ based double perovskite materials have received much attention in recent years due to their exotic magnetic structure and magneto-electric coupling. In this work we have prepared and studied the nano-crystalline sample of…
A new pyrochlore compound, NaCaNi$_2$F$_7$, was recently synthesized and has a single magnetic site with spin-1 Ni$^{2+}$. We present zero field (ZF) and longitudinal field (LF) muon spin rotation ($\mu$SR) measurements on this pyrochlore.…
Density functional theory (DFT) calculations are performed to predict the structural, electronic and magnetic properties of electrically neutral or charged few-atomic-layer (AL) oxides whose parent systems are based on polar perovskite…
We consider long-wave phonon-polaritons and longitudinal optical phonons in alkali-halide ionic crystals. The model of point charges that are polarized in the self-consistent electromagnetic field in a dielectric environment is used. The…
Since its discovery, ferroelectric hafnia has been extensively studied due to its CMOS-compatibility and ability to remain polarized at sub-10 nm thicknesses. The ferroelectric behaviour is generally attributed to a polar orthorhombic…