相关论文: Bistability between $\pi$-diradical open-shell and…
We study thermal fluctuations of a free-standing bilayer graphene subject to vanishing external tension. Within a phenomenological theory, the system is described as a stack of two continuum crystalline membranes, characterized by finite…
Two-dimensional second-order topological insulators are characterized by the presence of topologically protected zero-energy bound states localized at the corners of a flake. In this paper we theoretically study the occurrence and features…
The interface states appearing in polyacetylene-polyvinylfluoride and polyethylene-polyvinylfluoride are determined via an ab initio self consistent field technique based on Green matrix formalism. Different properties of these states are…
The spinel Li4Ti5O12 (LTO) has emerged as a promising anode material for the next generation of all-solid-state Li-ion batteries (ASSB), primarily due to its characteristic "zero strain" charge/discharge behavior and exceptional cycling…
We report the synthesis and optical characterization of fully inorganic gradientshell CdSe/CdZnS nanocrystals (NCs) with high luminescence quantum yield (QY, 50 percent), which were obtained by replacing native oleic-acid (OA) ligands with…
Comparison is made of the electronic structure of the little-studied layered transition metal oxide LiNbO$_2$ with that of Na$_x$CoO$_2$, which has attracted tremendous interest since superconductivity was discovered in its hydrate.…
Recently synthesized two-dimensional (2D) boron, borophene, exhibits a novel metallic behavior rooted in the s-p orbital hybridization, distinctively different from other 2D materials such as sulfides/selenides and semi-metallic graphene.…
Inter-Coulombic decay (ICD) resonances in the photoionization of Cl@C60 endofullerene molecule are calculated using a perturbative density functional theory (DFT) method. This is the first ICD study of an open shell atom in a fullerene…
Bilayer graphene (BLG) at the charge neutrality point (CNP) is strongly susceptible to electronic interactions, and expected to undergo a phase transition into a state with spontaneous broken symmetries. By systematically investigating a…
Organic diradicals are envisioned as elementary building blocks for designing a new generation of spintronic devices and have been used in constructing prototypical field effect transistors and non-linear optical devices. Open-shell…
Vertical integration of two-dimensional materials has recently emerged as an exciting method for the design of novel electronic and optoelectronic devices. Using density functional theory, we investigatethe structural and electronic…
The two-dimensional (2D) IV-V semiconductors have attracted much attention due to their fascinating electronic and optical properties. In this work, we predicted three phases of silicon nitrides, denoted $\alpha$-Si$_{2}$N$_{2}$,…
Oxide electronics provide the key concepts and materials for enhancing silicon-based semiconductor technologies with novel functionalities. However, a basic but key property of semiconductor devices still needs to be unveiled in its oxidic…
Bilayer graphene -- two coupled single graphene layers stacked as in graphite -- provides the only known semiconductor with a gap that can be tuned externally through electric field effect. Here we use a tight binding approach to study how…
The low-energy level structure of the exotic Na isotopes 28,29Na has been investigated through beta-delayed gamma spectroscopy. The N=20 isotones for Z=10-12 are considered to belong to the ``island of inversion'' where intruder…
We present the properties of a new organic $S=1$ antiferromagnetic chain system $m$-NO$_2$PhBNO (abbreviated BoNO). In this biradical system two unpaired electrons from aminoxyl groups are strongly ferromagnetically coupled ($|J_\text{FM}|…
Nonvolatile bipolar resistive switching has been observed in an Au/BiFeO3/Pt structure, where a Schottky contact and a quasi-Ohmic contact were formed at the Au/BiFeO3 and BiFeO3/Pt interface, respectively. By changing the polarity of the…
Recently, researchers demonstrated numerous types of the metasurfaces with non-radiating states including the anapole ones. These metasurfaces have promising properties for various applications in optics which are mainly connected with the…
We study the structure and melting of a classical bilayer system of dipoles, in a setup where the dipoles are oriented perpendicular to the planes of the layers and the density of dipoles is the same in each layer. Due to the anisotropic…
Topological insulators(1-8) are a novel form of matter which features metallic surface states with quasirelativistic dispersion similar to graphene(9). Unlike graphene, the locking of spin and momentum and the protection by time-reversal…