Group IV heavy elements atomic layers are expected to show an interesting physical properties due to their large spin-orbit coupling (SOC). Using density functional theory (DFT) calculations with/without SOC we investigate the variation of group IV heavy elements overlayers, namely dense triangular lattice atomic layers (TLAL) on the surface of SiC(0001) semiconductor. The possibility of such layers formation and their properties have not been addressed before. Here we show, that these layers may indeed be stable and, owing to peculiar bonding configuration, exhibit robust Dirac-like energy bands originating from $p_x+p_y$ orbitals and localized mostly within the layer, and $p_z$ band localized outside the layer and interacting with SiC substrate. We found that a $T_1$ adsorption site is most favorable for such TLAL structure and this results in an unusual SOC-induced spin polarization of the states around $\bar{K}$ points of Brillouin zone, namely the coexistence of Rashba- and Zeeman-like spin polarization of different states. We explain this phenomena in terms of symmetry of partial electronic density rather than symmetry of atomic structure.
On the SiC(0001) surface (the silicon face of SiC), epitaxial graphene is obtained by sublimation of Si from the substrate. The graphene film is separated from the bulk by a carbon-rich interface layer (hereafter called the buffer layer) which in part covalently binds to the substrate. Its structural and electronic properties are currently under debate. In the present work we report scanning tunneling microscopy (STM) studies of the buffer layer and of quasi-free-standing monolayer graphene (QFMLG) that is obtained by decoupling the buffer layer from the SiC(0001) substrate by means of hydroge…
Triangular cross-section SiC photonic devices have been studied as an efficient and scalable route for integration of color centers into quantum hardware. In this work, we explore efficient collection and detection of color center emission in a triangular cross-section SiC waveguide by introducing a photonic crystal mirror on its one side and a superconducting nanowire single photon detector (SNSPD) on the other. Our modeled triangular cross-section devices with a randomly positioned emitter have a maximum coupling efficiency of 89 % into the desired optical mode and a high coupling efficiency…
Graphene, the two-dimensional form of carbon presents outstanding electronic and transport properties. This gives hope for the development of applications in nanoelectronics. However, for industrial purpose, graphene has to be supported by a substrate. We focus here on the graphene-on-SiC system to discuss how the SiC substrate interacts with the graphene layer and to show the effect of the interface on graphene atomic and electronic structures.
Nanoscale ridges in epitaxial multilayer graphene grown on the silicon face of 4 degree off-cut 4H-SiC (0001) were found using scanning tunneling microscopy (STM). These nano-ridges are only 0.1 nm high and 25-50 nm wide, making them much smaller than previously reported ridges. Atomic-resolution STM was performed near and on top of the nano-ridges using a dual scanning technique in which forward and reverse images are simultaneously recorded. An apparent 100% enlarged graphene lattice constant is observed along the leading edge of the image for both directions. Horizontal movement of the grap…
We address the energetic stability of the graphene/SiC(0001) interface and the associated binding mechanism by studying a series of low-strain commensurate interface structures within a density functional scheme. Among the structures with negligible strain, the 6\surd3\times6\surd3 R30° SiC periodicity shows the lowest interface energy, providing a rationale for its frequent experimental observation. The interface stability is driven by the enhanced local reactivity of the substrate-bonded graphene atoms undergoing sp2-to-sp3 rehybridization (pyramidalization). By this mechanism, relaxed struc…
We report on the observation of the reststrahl band assisted photocurrents in epitaxial graphene on SiC excited by infrared radiation. The peculiar spectral dependence for frequencies lying within the reststrahl band of the SiC substrate provides a direct and noninvasive way to probe the electric field magnitude at atomic distances from the material's surface. Furthermore our results reveal that nonlinear optical and optoelectronic phenomena in 2D crystals and other atomic scale structures can be giantly enhanced by a proper combination of the spectral range and substrate material.
Atomic scale localization of Kohn-Sham wavefunction at SiO2/4H-SiC interface under electric field, deviating from envelope function by effective mass approximation
Point defects and their dynamic behaviors in silver monolayer intercalated between graphene and SiC
Paul-Drude-Institut für Festkörperelektronik, Leibniz-Institut im Forschungsverbund Berlin e. V.（柏林莱布尼茨固体电子学保罗·德鲁德研究所）；Department of Materials Science and Engineering, The Pennsylvania State University（宾夕法尼亚州立大学材料科学与工程系）；Dimensional Crystal Consortium, The Pennsylvania State University（宾夕法尼亚州立大学二维晶体联盟）；Center for 2-Dimensional and Layered Materials, The Pennsylvania State University（宾夕法尼亚州立大学二维与层状材料中心）；Center for Atomically Thin Multifunctional Coatings, The Pennsylvania State University（宾夕法尼亚州立大学原子级薄多功能涂层中心）
Monolayer graphene epitaxially grown on SiC(0001) was etched by H-plasma and studied by scanning tunneling microscopy and spectroscopy. The etching created partly hexagonal nanopits of monatomic depth as well as elevated regions with a height of about 0.12 nm which are stable at $T$ = 78 K. The symmetric tunnel spectrum about the Femi energy and the absence of a $6\times6$ corrugation on the elevated regions suggest that in these regions the carbon buffer layer is decoupled from the SiC substrate and quasi-free-standing bilayer graphene appears at originally monolayer graphene on the buffer la…
Principal structural defects in graphene layers, synthesized on a carbon-terminated face, i.e. the SiC(000) face of a 4H-SiC substrate, are investigated using microscopic methods. Results of high-resolution transmission electron microscopy (HRTEM) reveal their atomic arrangement. Mechanism of such defects creation, directly related to the underlying crystallographic structure of the SiC substrate, is elucidated. The connection between the 4H-SiC(000) surface morphology, including the presence of the single atomic steps, the sequences of atomic steps, and also the macrosteps, and the correspond…
Atomic-scale topography of epitaxial multilayer graphene grown on 4H-SiC(0001) was investigated using scanning tunneling microscopy (STM). Bunched nano-ridges ten times smaller than previously recorded were observed throughout the surface, the morphology of which was systematically altered using a relatively new technique called electrostatic-manipulation scanning tunneling microscopy. Transformed graphene formations sometimes spontaneously returned to their original morphology, while others permanently changed. Using an electrostatic model, we calculate that a force up to ~5 nN was exerted by…
We present a recipe for an electronic 2D higher order topological insulator (HOTI) on the triangular lattice that can be realized in a large family of materials. The essential ingredient is mirror symmetry breaking, which allows for a finite quadrupole moment and trivial $\mathbb{Z}_2$ index. The competition between spin-orbit coupling and the symmetry breaking terms gives rise to four topologically distinct phases; the HOTI phase appears when symmetry breaking dominates, including in the absence of spin-orbit coupling. We identify triangular monolayer adsorbate systems on the (111) surface of…
Ongoing efforts in quantum engineering have recently focused on integrating magnonics into hybrid quantum architectures for novel functionalities. While hybrid magnon-quantum spin systems have been demonstrated with nitrogen-vacancy (NV) centers in diamond, they have remained elusive on the technologically promising silicon carbide (SiC) platform mainly due to difficulties in finding a resonance overlap between the magnonic system and the spin centers. Here we circumvent this challenge by harnessing nonlinear magnon scattering processes in a magnetic vortex to access magnon modes that overlap …
Epitaxial graphene is grown on a non-polar n+ 6H-SiC m-plane substrate and studied using atomic scale scanning tunneling microscopy. Multilayer graphene is found throughout the surface and exhibits rotational disorder. Moiré patterns of different spatial periodicities are found, and we found that as the wavelength increases, so does the amplitude of the modulations. This relationship reveals information about the interplay between the energy required to bend graphene and the interaction energy, i.e. van der Waals energy, with the graphene layer below. Our experiments are supported by theoretic…
We calculate the optical properties of atomic-sized core-shell graphene - boron nitride nanoflakes with triangular shaped crossection using the density functional theory. The optical properties can be tuned by using different sizes and proportions of the core-shell materials. Anisotropic effects manifested in the absorption of unpolarized light with different orientations of the optical vector are pointed out.
Graphene is formed on SiC(000-1) surfaces (the so-called C-face of the crystal) by annealing in vacuum, with the resulting films characterized by atomic force microscopy, Auger electron spectroscopy, scanning Auger microscopy and Raman spectroscopy. Morphology of these films is compared with the graphene films grown on SiC(0001) surfaces (the Si-face). Graphene forms a terraced morphology on the C-face, whereas it forms with a flatter morphology on the Si-face. It is argued that this difference occurs because of differing interface structures in the two cases. For certain SiC wafers, nanocryst…
Graphene can develop large magnetic moments in custom crafted open-shell nanostructures such as triangulene, a triangular piece of graphene with zigzag edges. Current methods of engineering graphene nano-systems on surfaces succeeded in producing atomically precise open-shell structures, but demonstration of their net spin remains elusive to date. Here, we fabricate triangulene-like graphene systems and demonstrate that they possess a spin $S=1$ ground state. Scanning tunnelling spectroscopy identifies the fingerprint of an underscreened $S=1$ Kondo state on \rev{these} flakes at low temperatu…
We present a minimal but crucial microscopic theory for epitaxial graphene and graphene nanoribbons on the 4H-SiC(0001) surface -- protopypical materials to explore physical properties of graphene in large scale. Coarse-grained model Hamiltonians are constructed based on the atomic and electronic structures of the systems from first-principles calculations. From the theory, we unambiguously uncover origins of several intriguing experimental observations such as broken-symmetry states around the Dirac points and new energy bands arising throughout the Brillouin zone, thereby establishing the ro…
Spins in solids are cornerstone elements of quantum spintronics. Leading contenders such as defects in diamond, or individual phosphorous dopants in silicon have shown spectacular progress but either miss established nanotechnology or an efficient spin-photon interface. Silicon carbide (SiC) combines the strength of both systems: It has a large bandgap with deep defects and benefits from mature fabrication techniques. Here we report the characterization of photoluminescence and optical spin polarization from single silicon vacancies in SiC, and demonstrate that single spins can be addressed at…
Large-gap quantum spin Hall insulators are promising materials for room-temperature applications based on Dirac fermions. Key to engineer the topologically non-trivial band ordering and sizable band gaps is strong spin-orbit interaction. Following Kane and Mele's original suggestion, one approach is to synthesize monolayers of heavy atoms with honeycomb coordination accommodated on templates with hexagonal symmetry. Yet, in the majority of cases, this recipe leads to triangular lattices, typically hosting metals or trivial insulators. Here, we conceive and realize "indenene", a triangular mono…
We investigate the electronic, thermal, and optical characteristics of graphene like SiC$_x$ structure using model calculations based on density functional theory. The change in the energy bandgap can be tuned by the Si atomic configuration, rather than the dopants ratio. The effects of the concentration of the Si atoms and the shape of supercell are kept constant, and only the interaction effects of two Si atoms are studied by varying their positions. If the Si atoms are at the same sublattice positions, a maximum bandgap is obtained leading to an increased Seebeck coefficient and figure of m…
Despite recent successes in the synthesis of boron nanotubes (BNTs), the atomic arrangement of their walls has not yet been determined and many questions about their basic properties do remain. Here, we unveil the dynamical stability of BNTs by means of first-principles molecular dynamics simulations. We find that free-standing, single-wall BNTs with diameters larger than 0.6 nm are thermally stable at the experimentally reported synthesis temperature of 870$^\circ$C and higher. The walls of thermally stable BNTs are found to have a variety of different mixed triangular-hexagonal morphologies.…
In this study, we first show that the argon flow during epitaxial graphene growth is an important parameter to control the quality of the buffer and the graphene layer. Atomic force microscopy (AFM) and low-energy electron diffraction (LEED) measurements reveal that the decomposition of the SiC substrate strongly depends on the Ar mass flow rate while pressure and temperature are kept constant. Our data are interpreted by a model based on the competition of the SiC decomposition rate, controlled by the Ar flow, with a uniform graphene buffer layer formation under the equilibrium process at the…
The effect of different surface defects on the atomic and electronic structures of cubic $β$-SiC(110) surface are studied by means of a first principles calculation based on Density Functional Theory using the SIESTA code. In the calculations, the possibility of different spin population at each atom is allowed. We find that while adsorption of oxygen or nitrogen and adsorption of hydrogen at the C surface carbon atoms do not induce magnetic moments on SiC(110); Si vacancies, substitutional C at the Si site and H or F adsorbed at the silicon surface sites induce localized magnetic moments as l…
We present a study of quasi-free-standing monolayer graphene obtained by intercalation of Au atoms at the interface between the carbon buffer layer (Bu-L) and the silicon-terminated face (0001) of 4H-silicon carbide. Au intercalation is achieved by deposition of atomically thin Au on the Bu-L followed by annealing at 850 °C in an Argon atmosphere. We explore the intercalation of Au and decoupling of the Bu-L into quasi-free-standing monolayer graphene by surface science characterizations and electron transport in top-gated electronic devices. By gate-dependent magnetotransport we find that the…
Transition metal (TM) defects in silicon carbide have favorable spin coherence properties and are suitable as quantum memory for quantum communication. To characterize TM defects as quantum spin-photon interfaces, we model defects that have one active electron with spin 1/2 in the atomic $D$ shell. The spin structure, as well as the magnetic and optical resonance properties of the active electron emerge from the interplay of the crystal potential and spin-orbit coupling and are described by a general model derived using group theory. We find that the spin-orbit coupling leads to additional all…
The regular structures obtained by optical lattice technology and their behaviour are analysed from the quantum information perspective. Initially, we demonstrate that a triangular optical lattice of two atomic species, bosonic or fermionic, can be employed to generate a variety of novel spin-1/2 models that include effective three-spin interactions. Such interactions can be employed to simulate specific one or two dimensional physical systems that are of particular interest for their condensed matter and entanglement properties. In particular, connections between the scaling behaviour of enta…
The electrical transport properties of epitaxial graphene layers are correlated with the SiC surface morphology. In this study we show by atomic force microscopy and Raman measurements that the surface morphology and the structure of the epitaxial graphene layers change significantly when different pretreatment procedures are applied to nearly on-axis 6H-SiC(0001) substrates. It turns out that the often used hydrogen etching of the substrate is responsible for undesirable high macro steps evolving during graphene growth. A more advantageous type of sub-nanometer stepped graphene layers is obta…
We propose a tight binding model for the quantum spin Hall system on triangular optical lattice and we determined the edge state spectrum which contains gap traversing states as the hallmark of $\mathds{Z}_{2}$ topological insulator. The advantage of this system is the possibility of implementing it in the fermionic ultracold atomic system whose nearly free electron limit is proposed by B. Béri and N. R. Cooper, Phys. Rev. Lett. {\bf 107}, 145301 (2011).
Quantum spin Hall (QSH) materials promise revolutionary device applications based on dissipationless propagation of spin currents. They are two-dimensional (2D) representatives of the family of topological insulators, which exhibit conduction channels at their edges inherently protected against scattering. Initially predicted for graphene, and eventually realized in HgTe quantum wells, in the QSH systems realized so far, the decisive bottleneck preventing applications is the small bulk energy gap of less than 30 meV, requiring cryogenic operation temperatures in order to suppress detrimental b…
