相关论文: Giant flexoelectric effect in two-dimensional boro…
The direct magnetoelectric (ME) effect mediated by lattice strains induced in a ferroelectric film by a ferromagnetic substrate is evaluated using first-principles-based calculations. To that end, the strain sensitivity of ferroelectric…
The thermoelectric properties of in plane heterostructures made of Graphene and hexagonal Boron Nitride (BN) have been investigated by means of atomistic simulation. The heterostructures consist in armchair graphene nanoribbons to the sides…
We perform a first principle calculation on the electronic properties of carbon doped graphitic boron nitride graphitic BN. It was found that carbon substitution for either boron or nitrogen atom in graphitic BN can induce spontaneous…
Borophene (two-dimensional boron sheet) is a new type of two-dimensional material, which was recently grown successfully on single crystal Ag substrates. In this paper, we investigate the electronic structure and bonding characteristics of…
One-dimensional nanostructures such as nanowires and nanotubes are stimulating tremendous interest due to their structural, electronic and magnetic properties. In this study, the first principle calculation was performed to investigate on…
Hexagonal boron nitride (hBN) flakes are key building blocks for encapsulating two-dimensional (2D) materials, providing atomically flat surfaces and an excellent dielectric environment for high-mobility field-effect transistors and…
We describe a new sensitive method for the investigation of weakly magnetic films placed inside a tri-layer planar waveguide. Polarized neutrons tunnel into the waveguide through the surface, channel along the layers and are emitted from…
Layered materials with non-centrosymmetric stacking order are attracting increasing interest due to the presence of ferroelectric polarization, which is dictated by weak interlayer hybridization of atomic orbitals. Here, we use density…
Micrometric domains of precise ferroelectric polarization have been written into a 20 nm thick epitaxial thin film of BaTiO3(001) (BTO) on a Nb doped SrTiO3 (STO) substrate using PiezoForce Microscopy (PFM). The domain dependent electronic…
Quantum emitters in hexagonal boron nitride (hBN) are promising building blocks for the realization of integrated quantum photonic systems. However, their spectral inhomogeneity currently limits their potential applications. Here, we apply…
By considering an interfacial layer between the electrode and the $BiFeO_{3}$($BFO$) layer, the polarization and the hysteresis behavior of $BFO$ film are simulated. It is found that the non-ferroelectric interface will increase the…
Photostriction is predicted for SnS and SnSe monolayers, two-dimensional ferroelectrics with rectangular unit cells (the lattice vector $\mathbf{a}_1$ is larger than $\mathbf{a}_2$) and an intrinsic dipole moment parallel to $\mathbf{a}_1$.…
Second-order nonlinear optical response allows to detect different properties of the system associated with the inversion symmetry breaking. Here, we use a second harmonic generation effect to investigate the alignment of a…
As a two-dimensional (2D) dielectric material, hexagonal boron nitride (hBN) is in high demand for applications in photonics, nonlinear optics, and nanoelectronics. Unfortunately, the high-throughput preparation of macroscopic-scale,…
We apply first-principles calculations to study the electronic structure of boron nitride nanocones with disclinations of different angles $\theta=n\pi/3$. Nanocones with odd values of $n$ present antiphase boundaries that cause a reduction…
Two-dimensional (2D) materials have a high F\"oppl-von K\'arm\'an number and can be easily bent, much like a paper, making undulations a novel way to design distinct electronic phases. Through first-principles calculations, we reveal the…
We present theoretical evidence, based on total-energy first-principles calculations, of the existence of spin-polarized states well localized at and extended along the edges of bare zigzag boron nitride nanoribbons. Our calculations…
Hexagonal boron nitride is an ideal dielectric to form two-dimensional heterostructures due to the fact that it can be exfoliated to be just few atoms thick and its a very low density of defects. By placing graphene nanoribbons on high…
We report on luminescent centers contained in a few-layer-thick hexagonal boron nitride (h-BN) film grown on Ni by molecular beam epitaxy. After transfer to a SiO$_2$/Si substrate, sharp lines are observed in photo- and cathodoluminescence…
Optical excitations in hexagonal nanonetwork materials, for example, Boron-Nitride (BN) sheets and nanotubes, are investigated theoretically. A permanent electric dipole moment, whose direction is from the B site to the N site, is…