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Because it is easily switched from insulator to metal either via chemical doping or electrical gating, silicon is at the core of modern information technology and remains a candidate platform for quantum computing. The metal-to-insulator…
A bismuth-doped silicon substrate was analyzed by using a magnetometer based on a superconducting flux qubit. The temperature dependence of the magnetization indicates that the silicon substrate contains at least two signal sources,…
By means of first-principles density functional theory calculations, we find that hydrogen-passivated ultrathin silicon nanowires (SiNWs) along [100] direction with symmetrical multiple surface dangling bonds (SDBs) and boron doping can…
To develop silicon-based spintronic devices, we have explored high-quality ferromagnetic Fe$_{3}$Si/silicon (Si) structures. Using low-temperature molecular beam epitaxy at 130 $^circ$C, we realize epitaxial growth of ferromagnetic…
Density functional calculations were performed to systematically study a series of finite and infinite cluster-assembled silicon nanotubes (SiNTs). One-dimensional SiNTs can be prepared by proper assembly of hydrogenated cage-like silicon…
The adsorption characteristics of alkali, alkaline earth and transition metal adatoms on silicene, a graphene-like monolayer structure of silicon, are analyzed by means of first-principles calculations. In contrast to graphene, interaction…
Silicene (a monolayer of silicon atoms) is a quantum spin-Hall insulator, which undergoes a topological phase transition into other insulators by applying external field such as electric field, photo-irradiation and antiferromagnetic order.…
Silicene is a monolayer of silicon atoms forming a two-dimensional honeycomb lattice. We investigate the topological properties of a silicene superstructure generated by an external periodic potential. The superstructure is a quantum…
In this thesis, I propose a practical way to stabilize half passivated graphene (graphone). I show that the dipole moments induced by a hexagonal-boron nitride (h-BN) substrate on graphene stabilize the hydrogen atoms on one sublattice of…
We propose a guideline for exploring substrates that stabilize the monolayer honeycomb structure of silicene and germanene while simultaneously preserve the Dirac states: in addition to have a strong binding energy to the monolayer, a…
Two-dimensional (2D) half-metals with intrinsic ferromagnetism hold great potential for applications in spintronics. In this study, we aim to expand the known space of such 2D ferromagnetic (FM) half-metals by investigating bilayer of Janus…
Graphene's original promise to succeed silicon faltered due to pervasive edge disorder in lithographically patterned deposited graphene and the lack of a new electronics paradigm. Here we demonstrate that the annealed edges in…
We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…
We report the growth of Si nanostructures, either as thin films or nanoparticles, on graphene substrates. The Si nanostructures are shown to be single crystalline, air stable and oxidation resistive, as indicated by the observation of a…
Superconducting spintronics has emerged in the last decade as a promising new field that seeks to open a new dimension for nanoelectronics by utilizing the internal spin structure of the superconducting Cooper pair as a new degree of…
In view of the appreciable semiconducting gap of 0.26 eV observed in recent experiments, epitaxial graphene on a SiC substrate seems a promising channel material for FETs. Indeed, it is two-dimensional - and therefore does not require…
Spintronics involves the study of active control and manipulation of spin degrees of freedom in solid-state systems. The fascinating spin-resolved properties of graphene motivate numerous researchers into the studies of spintronics in…
Spin-1/2 Heisenberg antiferromagnetic chains are excellent one-dimensional platforms for exploring quantum magnetic states and quasiparticle fractionalization. Understanding its quantum magnetism and quasiparticle excitation at the atomic…
The search for half-metals and spin-gapless semiconductors has attracted extensive attention in material design for spintronics. Existing progress in such a search often requires peculiar atomistic lattice configuration and also lacks…
We investigate theoretically the electronic structure of graphene and boron nitride (BN) lateral heterostructures, which were fabricated in recent experiments. The first-principles density functional calculation demonstrates that a huge…