Regulation of the valleytronic properties in single-layer NbSeCl.

The regulation of the valleytronic properties of two-dimensional materials can contribute to the in-depth study of valley physics and improve its potential for applications in valleytronic devices. Herein, we systematically investigate the electronic properties and the modulation of the valleytronic properties in single-layer NbSeCl. Our results reveal that NbSeCl is a semiconductor with a 105.

Spin-Resolved Imaging of Antiferromagnetic Order in Fe Se Ultrathin Films on SrTiO.

Unraveling the magnetic order in iron chalcogenides and pnictides at atomic scale is pivotal for understanding their unconventional superconducting pairing mechanism, but is experimentally challenging. Here, by utilizing spin-polarized scanning tunneling microscopy, real-space spin contrasts are successfully resolved to exhibit atomically unidirectional stripes in Fe Se ultrathin films, the plausible closely related compound of bulk FeSe with ordered Fe-vacancies, which are grown by molecular beam epitaxy. As is substantiated by the first-principles electronic structure calculations, the spin contrast originates from a pair-checkerboard antiferromagnetic ground state with in-plane magnetization, which is modulated by a spin-lattice coupling.

Self-Intercalated 1T-FeSe as an Effective Kagome Lattice.

In kagome lattice, with the emergence of Dirac cones and flat band in electronic structure, it provides a versatile ground for exploring intriguing interplay among frustrated geometry, topology and correlation. However, such engaging interest is strongly limited by available kagome materials in nature. Here we report on a synthetic strategy of constructing kagome systems via self-intercalation of Fe atoms into the van der Waals gap of FeSe via molecular beam epitaxy.

Quasi-degenerate magnetic states in α-RuCl.

Exploring quantum spin liquid (QSL) state has both fundamental scientific value and realistic application potential. Recently, α-RuCl was experimentally observed to hold in-plane zigzag antiferromagnetic (AFM) order at low temperature, which was further proposed to be proximate to a Kitaev QSL ground state. We have studied the magnetic properties of α-RuCl in the framework of electronic structure calculation based on density functional theory (DFT) with Hubbard U correction (DFT+U) and spin-orbit coupling.

The melilite-type compound [Formula: see text] (A = K, La) being a room temperature ferromagnetic semiconductor.

The seeking of room temperature ferromagnetic semiconductors, which take advantages of both the charge and spin degrees of freedom of electrons to realize a variety of functionalities in devices integrated with electronic, optical, and magnetic storage properties, has been a long-term goal of scientists and engineers. Here, by using the spin-polarized density functional theory calculations, we predict a new series of high temperature ferromagnetic semiconductors based on the melilite-type oxysulfide SrMnGeSO through hole (K) and electron (La) doping. Due to the lack of strong antiferromagnetic superexchange between Mn ions, the weak antiferromagnetic order in the parent compound SrMnGeSO can be suppressed easily by charge doping with either p-type or n-type carriers, giving rise to the expected ferromagnetic order.