Related papers: Spin-polarized nearly-free electron channels on th…
Electrides, with excess anionic electrons confined in their empty space, are promising for uses in catalysis, nonlinear optics and spin-electronics. However, the application of electrides is limited by their high chemical reactivity with…
Based on first-principles calculations we show that the oxidation of ultrathin films of Ca$_2$N electrides, electrenes, drives a hexagonal$\rightarrow$tetragonal structural transition. The ground state configuration of the oxidized…
Using a set of first-principles calculations, we studied the electronic structures of two-dimensional transition metal carbides and nitrides, so called MXenes, functionalized with F, O, and OH. Our projected band structures and electron…
Because of their loosely bound electrons, electrides offer physical properties useful in chemical synthesis and electronics. For these applications and others, nano-sized electrides offer advantages, but to-date no electride has been…
The growing library of two-dimensional layered materials is providing researchers with a wealth of opportunity to explore and tune physical phenomena at the nanoscale. Here, we review the experimental and theoretical state-of-art concerning…
The materials with spin-polarized electronic states have attracted a huge amount of interest due to their potential applications in spintronics. Based on first-principles calculations, we study the electronic characteristics of a series of…
In two-dimensional (2D) metallic kagome lattice materials, destructive interference of electronic hopping pathways around the kagome bracket can produce nearly localized electrons, and thus electronic bands that are flat in momentum space.…
Two dimensional (2D) magnets have emerged as a compelling platform for spin based nanoelectronics, enabling atomic scale control of magnetic order, interfaces, quantum geometry, and symmetry. Here, we highlight recent advances in 2D…
Lateral heterostructures of two-dimensional (2D) materials, integrating different phases or materials into a single piece of nanosheet, have attracted intensive research interests in the past few years for high-performance electronic and…
The transition metal carbides (namely MXenes) and their functionalized derivatives exhibit various physical and chemical characteristics and offer many potential applications in electronic devices and sensors. Using density functional…
All-electric-controlled nonvolatile spin field-effect transistors (SFETs) based on two-dimensional (2D) multiferroic van der Waals (vdW) heterostructures hold great promise for advanced spintronics applications. However, their performance…
Electride materials offer attractive physical properties due to their loosely bound electrons. Ca2N, an electride in the two-dimensional (2D) form was successfully recently synthesized. We conducted extensive first-principles calculations…
Nearly free electron (NFE) state is an important kind of unoccupied state in low dimensional systems. Although it is intensively studied, a clear picture on its physical origin and its response behavior to external perturbations is still…
Owing to their unprecedented electronic properties, graphene and two-dimensional (2D) crystals have brought fresh opportunities for advances in planar spintronic devices. Graphene is an ideal medium for spin transport while also being an…
Spintronics has become a broad and important research field that intersects with magnetism, nano-electronics, and materials science. Its overarching aim is to provide a fundamental understanding of spin-dependent phenomena in solid-state…
Generating efficient and highly spin-polarized currents through nanoscale junctions is essential in the field of nanoelectronics and spintronics. In this paper, using $ab$ $initio$ electron transport calculations, we predict highly…
Two-dimensional (2D) materials for their versatile band structures and strictly 2D nature have attracted considerable attention over the past decade. Graphene is a robust material for spintronics owing to its weak spin-orbit and hyperfine…
Spectroscopic measurements in model one-dimensional (1D) correlated systems offer insights for understanding their two-dimensional counterparts, which include the cuprate and iron pnictide/chalcogenide superconductors. A major challenge is…
Two-dimensional boron (borophene) is featured by its structural polymorphs and distinct in-plane anisotropy, opening opportunities to achieve tailored electronic properties by intermixing different phases. Here, using scanning tunneling…
The central target of spintronics research is to achieve flexible control of highly efficient and spin-polarized electronic currents. Based on first-principles calculations and k-p models, we demonstrate that Cu2S/MnSe heterostructures are…