相关论文: Computational Analysis of Interface-Driven Spin-Or…

Two-dimensional (2D) magnetic oxides are increasingly studied for their multifunctional potential in fields like spintronics, optoelectronics, and energy conversion. In this research, we conduct a detailed first-principles study of pure…

In scanning tunneling microscopy of molecules, an insulating buffer layer is often introduced to reduce interactions between adsorbed molecules and the substrate. Focusing on tunneling through the molecule's electronic transport gap, we…

Indium oxide offers optical transparency paired with electric conductivity, a combination required in many optoelectronic applications. The most-stable In2O3(111) surface has a large unit cell (1.43 nm lattice constant). It contains a…

Materials with large unidirectional Rashba spin-orbit coupling (SOC), resulting in persistent-spin helix states with small spin-precession length, are critical for advancing spintronics. We demonstrate a design principle achieving it…

In ruthenate materials, non-Fermi liquid (NFL) phases have been observed. We used the natural orbitals renormalization group (NORG) method as an impurity solver for dynamical mean-field theory (DMFT) to study a three-orbital…

The importance of the spin-orbit coupling (SOC) effect in Fe-based superconductors (FeSCs) has recently been under hot debate. Considering the Hund's coupling-induced electronic correlation, the understanding of the role of SOC in FeSCs is…

Atomically thin transition metal dichalcogenides (TMDs) are promising candidates for next-generation transistor channels due to their superior scaling properties. However, the integration of ultra-thin gate dielectrics remains a challenge,…

Utilization of Faraday rotation (FR) properties of topological materials offers a promising route toward novel magneto-optical devices. We systematically investigated the effect of Rashba spin-orbit coupling (SOC) on FR spectra in an…

The complex oxide heterostructures such as LaAlO3/SrTiO3 (LAO/STO) interface are paradigmatic platforms to explore emerging multi-degrees of freedom coupling and the associated exotic phenomena. In this study, we reveal the effects of…

There has been a rapidly growing interest on the interplay between spin-orbit coupling (SOC) and Hubbard interaction U in correlated materials. A current consensus is that the stronger the SOC, the smaller is the critical interaction Uc…

We explore the magnetic properties of isolated a-b planes of trinuclear organometallic crystals, Mo3S7(dmit)3, in which an interplay of strong electronic correlations and spin molecular-orbital coupling (SMOC) occurs. The magnetic…

Breaking of the inversion symmetry at the interface between different materials may dramatically enhance spin-orbit interaction in the vicinity of the interface. We incorporate the effects of this interfacial spin-orbit coupling (ISOC) into…

We investigate a quarter-filled two-band Hubbard model involving a crystal-field splitting, which lifts the orbital degeneracy as well as an inter-orbital hopping (inter-band hybridization). Both terms are relevant to the realistic…

Kondo resonances in molecular adsorbates are an important building block for applications in the field of molecular spintronics. Here, we introduce the novel concept of using frontier orbital degeneracy for tailoring the magnetic state,…

Transition metal oxides exhibit various competing phases and exotic phenomena depending on how their reaction to the rich degeneracy of the $d$-orbital. Large spin-orbit coupling (SOC) reduces this degeneracy in a unique way by providing a…

We study how the synergetic effect of spin-orbit coupling (SOC) and Zeeman splitting (ZS) affects the optical conductivity in the one-dimensional Hubbard model using the Kubo formula. We focus on two phenomena: (1) the electric dipole spin…

Rashba spin-orbit coupling (RSOC) induces strong momentum-dependent spin splitting and plays a crucial role in fields like spintronics and topological photonics. We here theoretically investigate the collective excitations in monolayer…

Using ab initio calculations, we have investigated an insulating tetragonally distorted perovskite BaCrO$_3$ with a formal $3d^2$ configuration, the volume of which is apparently substantially enhanced by a strain due to SrTiO$_3$…

FePS3 is a layered van der Waals (vdW) Ising antiferromagnet that has recently been studied in the context of true 2D magnetism, and emerged as an ideal material platform for investigating strong spin-phonon coupling, and non-linear…

Using first-principles density-functional theory (DFT) calculations, we investigate the 4/3-monolayer structure of Pb on the Si(111) or Ge(111) surface within the two competing structural models termed the H$_3$ and T$_4$ structures. We…