相关论文: Fe-DCA Metal-Organic Frameworks on the Bi2Se3(0001…
Two-dimensional (2D) topological insulators (TIs) hold promise for applications in spintronics based on the fact that the propagation direction of edge electrons of a 2D TI is robustly linked to their spin origination. Here, with the use of…
Covalent-organic frameworks (COFs) are intriguing platforms for designing functional molecular materials. Here, we present a computational study based on van der Waals dispersion-corrected hybrid density functional theory calculations to…
The recent discovery of antiferromagnetic (AFM) topological insulator (TI) MnBi$_2$Te$_4$ has triggered great research efforts on exploring novel magnetic topological physics. Based on first-principles calculations, we find that the…
By using first-principles calculations, we propose that ZrSiO can be looked as a three-dimensional (3D) oxide weak topological insulator (TI) and its single layer is a long-sought-after 2D oxide TI with a band gap up to 30 meV. Calculated…
The indirect exchange interaction between local magnetic moments via surface electrons has been long predicted to bolster the surface ferromagnetism in magnetic topological insulators (MTIs), which facilitates the quantum anomalous Hall…
New metal-organic frameworks (MOFs) are periodically synthesized all over the world due to the wide range of societally and environmentally relevant applications they possess. However, the mechanisms and thermodynamics associated to MOF…
We propose that the topological magneto-electric (ME) effect, a hallmark of topological insulators (TIs), can be realized in thin films of TIs in the $\nu=0$ quantum Hall state under magnetic field or by doping two magnetic ions with…
Covalent Organic Frameworks (COFs) are versatile two-dimensional (2D) materials for flexible electronics, catalysis, and sensing, owing to their tunable architectures and large surface areas. However, like most materials, COFs inevitably…
Antiferromagnetic (AF) topological materials offer a fertile ground to explore a variety of quantum phenomena such as axion magnetoelectric dynamics and chiral Majorana fermions. To realize such intriguing states, it is essential to…
We investigate the existence of linear magnetism in the metal organic framework materials MOF-74-Fe, MOF-74-Co, and MOF-74-Ni, using first-principles density functional theory. MOF-74 displays regular quasi-linear chains of open-shell…
Metal organic frameworks (MOFs) are promising photocatalytic materials due to their high surface area and tuneability of their electronic structure. We discuss here how to engineer the band structures and optical properties of a family of…
Topological insulators (TIs) are an important family of quantum materials that exhibit a Dirac point (DP) in the surface band structure but have a finite band gap in bulk. A large degree of spin-orbit interaction and low bandgap is a…
The quasi-one-dimensional spin ladder compounds, BaFe$_2$S$_3$ and BaFe$_2$Se$_3$, are investigated by infrared spectroscopy and density functional theory (DFT) calculations. We observe strong anisotropic electronic properties and an…
The ability to precisely control the electronic coupling/decoupling of adsorbates from surfaces is an essential goal. It isimportant for fundamental studies not only in surface science but alsoin several applied domains including, for…
We provide a characterization of tunneling between coupled topological insulators in 2D and 3D under the influence of a ferromagnetic layer. We explore conditions for such systems to exhibit integer quantum Hall physics and localized…
Three dimensional (3D) topological insulators are quantum materials with a spin-orbit induced bulk insulating gap that exhibit quantum-Hall-like phenomena in the absence of applied magnetic fields. The proposed applications of topological…
We theoretically study the magnetic proximity effect in the three dimensional (3D) topological insulator/ferromagnetic insulator (TI/FMI) structures in the context of possibility to manage the Dirac helical state in TI. Within continual…
Two-dimensional topological insulators (2DTI) have attracted increasing attention during the past few years. New 2DTI with increasing larger spin-orbit coupling (SOC) gaps have been predicted by theoretical calculations and some of them…
Topological insulators are materials with an insulating bulk interior while maintaining gapless boundary states against back scattering. Bi$_2$Se$_3$ is a prototypical topological insulator with a Dirac-cone surface state around $\Gamma$.…
The discovery of two-dimensional (2D) materials possessing switchable spontaneous polarization with atomic thickness opens up exciting opportunities to realize ultrathin, high-density electronic devices with potential applications ranging…