Following the work in graphene, we report a first-principles study of electron-phonon coupling (EPC) in low-buckled (LB) monolayer silicene and germanene. Despite of the similar honeycomb atomic arrangement and linear band dispersion, the EPC matrix-element squares of the $Γ$-$E_g$ and K-$A_1$ modes in silicene are only about 50% of those in graphene. However, the smaller Fermi velocity in silicene compensates this reduction by providing a larger joint electronic density of states near the Dirac point. We predict that Kohn anomalies associated with these two optical modes are significant in silicene. In addition, the EPC-induced frequency shift and linewidth of the Raman-active $Γ$-$E_g$ mode in silicene are calculated as a function of doping. The results are comparable to those in graphene, indicating a similar non-adiabatic dynamical origin. In contrast, the EPC in germanene is found to be much reduced.
We present first-principles calculations of silicene/graphene and germanene/graphene bilayers. Various supercell models are constructed in the calculations in order to reduce the strain of the lattice-mismatched bilayer systems. Our energetics analysis and electronic structure results suggest that graphene can be used as a substrate to synthesize monolayer silicene and germanene. Multiple phases of single crystalline silicene and germanene with different orientations relative to the substrate could coexist at room temperature. The weak interaction between the overlayer and the substrate preser…
Silicene and germanene are key materials for the field of valleytronics. However, interaction with the substrate, which is necessary to support the electronically active medium, becomes a major obstacle. In the present work, we propose a substrate (F-doped WS$_2$) that avoids detrimental effects and at the same time induces the required valley polarization, so that no further steps are needed for this purpose. The behavior is explained by proximity effects on silicene/germanene, as demonstrated by first-principles calculations. Broken inversion symmetry due to the presence of WS$_2$ opens a su…
Due to nonzero intrinsic spin-orbit interaction in buckled honeycomb crystal structures, silicene and germanene exhibit interesting topological properties, and are therefore candidates for the realization of the quantum spin Hall effect. We employ the Kane-Mele model to investigate the electron states in hexagonal silicene and germanene nanorings having either zigzag or armchair edges in the presence of a perpendicular magnetic field. We present results for the energy spectra as function of magnetic field, the electron density of the spin-up and spin-down states in the ring plane, and the calc…
We theoretically investigated two kinds of density oscillations: the Friedel oscillation and collective excitation in the silicene and germanene within random phase approximation, and found that the tunable spin-valley coupled band structure could lead to some exotic properties in such two phenomena. Based on the exact analytical and numerical analysis, we demonstrated that the beating of screened potential as well as the undamped plasmon mode can be taken as fingerprints of topological phase transition in doped silicene and doped germanene. Thus our proposal here establishes the connection be…
The thermoelectric properties in one- and two-dimensional silicon and germanium structures have been investigated using first-principle density functional techniques and linear response for the thermal and electrical transport. We have considered here the two-dimensional silicene and germanene, together with nano-ribbons of different widths. For the nano-ribbons, we have also investigated the possibility of nano-structuring these systems by mixing silicon and germanium. We found that the figure of merit at room temperature of these systems is remarkably high, up to 2.5.
We theoretically study electrically tunable magnetoplasmons in a monolayer of silicene or germanene. We derive the dynamical response function and take into account the effects of strong spin-orbit coupling (SOC) and of an external electric filed $E_z$ perpendicular to the plane of the buckled silicene/germanene. Employing the random-phase approximation we analyze the magnetoplasmon spectrum. The dispersion relation has the same form as in a two-dimensional electron gas with the cyclotron and plasma frequencies modified due to the SOC and the field $E_z$. In the absence of SOC and $E_z$, our r…
Based on first principles calculations and self-consistent solution of linearized Boltzmann-Peierls equation for phonon transport approach within a three-phonon scattering framework, we characterize lattice thermal conductivities k of freestanding silicene, germanene and stanene under different isotropic tensile strains and temperatures. We find a strong size dependence of k for silicene with tensile strain, i.e., divergent k with increasing system size, in contrast, the intrinsic room temperature k for unstrained silicene converges with system size to 19.34 W/m-K by 178 nm. The room temperatu…
Silicene, germanene and stanene are two-dimensional topological insulators exhibiting helical edge states. We investigate global and local manipulations at the edges by exposing them to (i) a charge-density-wave order, (ii) a superconductor, (iii) an out-of-plane antiferromagnetic, and (iv) an in-plane antiferromagnetic field. We show that these perturbations affect the helical edge states in a different fashion. As a consequence one can realize quantum spin-Hall effect without edge states. In addition, these edge manipulations lead to very promising applications: a giant magnetoresistance and…
We investigate van der Waals (vdW) heterostructures made of germanene, stanene or silicene with hexagonal Boron Nitride (h-BN). The intriguing topological properties of these buckled honeycomb materials can be maintained and further engineered in the heterostructures, where the competition between the substrate effect and external electric fields can be used to control the tunable topological phase transitions. Using such heterostructures as building blocks, various vdW topological domain walls (DW) are designed, along which there exist valley polarized quantum spin Hall edge states or valley-…
Using a multi-orbital tight-binding model, we have studied the edge states of zigzag silicene, germanene, and stanene nanoribbons (ZSiNRs, ZGeNRs and ZSnNRs, respectively) in the presence of the Coulomb interaction and a vertical electric field. The resulting edge states have non-linear energy dispersions due to multi-orbital effects, and the nanoribbons show induced magnetization at the edges. Owing to this non-linear dispersion, ZSiNRs, ZGeNRs and ZSnNRs may not provide superior performance in field effect transistors, as has been proposed from single-orbital tight-binding model calculations…
The intrinsic spin and valley Hall conductivities of silicene, germanene and other similar two dimensional crystals are explored theoretically. Particular attention is given to the effects of the intrinsic spin-orbit coupling, electron doping and the type of insulating phase of the system (i.e., a topological insulator or a band insulator) which can be tuned by a perpendicular electric field. At finite frequency, the transverse edge to which carriers of particular spin and valley label flow can be controlled such that an accumulation of a particular combination of spin and valley index can be …
We have calculated numerically electron exchange, correlation energies and dynamical polarization function for newly discovered silicene, germanene and black phosphorus (BP), consisting of puckered layers of elemental phosphorus atoms, broadening the range of two-dimensional (2D) materials at various temperatures. As a matter of fact, monolayer BP, produced by mechanical and liquid exfoliation techniques, has been predicted to be an insulator with a large energy splitting 1.6 eV for the quasiparticle band structure. We compare the dependence of these energies on the chemical potential, field-i…
We study the lattice thermal conductivity of two-dimensional (2D) pentagonal systems, such as penta-silicene and penta-germanene. Penta-silicene has been recently reported, while the stable penta-germanene, belonging to the same group IV element, is revealed firstly by our ab initio calculations. We find that both penta-silicene and penta-germanene at room temperature have ultralow lattice thermal conductivities $κ$ of 1.29 W/mK and 0.30 W/mK respectively. To the best of our knowledge, penta-germanene may have the lowest $κ$ in 2D crystal materials. We attribute ultralow $κ$ to the weak phonon…
By using first-principles calculations, we predict that an in-plane homogenous electrical field can induce half-metallicity in hydrogen-terminated zigzag silicene and germanene nanoribbons (ZSiNRs and ZGeNRs). A dual-gated finite ZSiNR device reveals a nearly perfect spin-filter efficiency of up to 99% while a quadruple-gated finite ZSiNR device serves as an effective spin field effect transistor (FET) with an on/off current ratio of over 100 from ab initio quantum transport simulation. This discovery opens up novel prospect of silicene and germanene in spintronics.
We investigate the energy dispersion of the edge states in zigzag silicene, germanene and stanene nanoribbons with and without hydrogen termination based on a multi-orbital tight-binding model. Since the low buckled structures are crucial for these materials, both the $π$ and $σ$ orbitals have a strong influence on the edge states, different from the case for graphene nanoribbons. The obtained dispersion of helical edge states is nonlinear, similar to that obtained by first-principles calculations. On the other hand, the dispersion derived from the single-orbital tight-binding model is always …
The O2 dissociation and O atoms adsorption on free-standing germanene are studied by using first-principles calculations in this letter. Compared with the spontaneous dissociation of oxygen molecule on free-standing silicene in air, germanene is more stable than silicene from kinetic point of view, with overcoming energy barrier of about 0.55 eV. Especially, in contrast with the unique chemical adsorption of O2-dissociation-induced O atoms on silicene, oxygen molecule can behave a correspondingly stable adsorption on germanene surface. Moreover, single O atom adsorption on germanene is also di…
We start with the silicene or germanene single-particle Hamiltonian in buckled 2D hexagonal lattices expressed in terms of Dirac matrices in the Weyl basis. The Hamiltonian of these systems comprises of the Dirac kinetic energy, a mass gap term, and the spin-orbit coupling. The second term breaks the sub-lattice symmetry of the honey-comb lattice structure and generates a gap. The buckled structure generates a staggered sub-lattice potential between silicon atoms at A sites and B sites for an applied electric field perpendicular to its plane. Tuning of the electric field, allows for rich behav…
Silicene and germanene derivatives constructed from periodic dumbbell units play a crucial role in multilayers of these honeycomb structures. Using first-principles calculations based on density functional theory, here we investigate the dumbbell formation mechanisms and energetics of Group IV atoms adsorbed on graphene, silicene, germanene and stanene monolayer honeycomb structures. The stabilities of the binding structures are further confirmed by performing ab-initio molecular dynamics calculations at elevated temperatures, except for stanene which is subject to structural instability upon …
We report the recent progress on the theoretical aspects of monolayer topological insulators including silicene, germanene and stanene, which are monolayer honeycomb structures of silicon, germanium and tin, respectively. They show quantum spin Hall effects in nature due to the spin orbit interaction. The band gap can be tuned by applying perpendicular electric field, which induces a topological phase transition. We also analyze the topological properties of generic honeycomb systems together with the classification of topological insulators. Phase diagram of topological insulators and superco…
Using first-principles Density Functional Theory calculations, we showed that electronic and magnetic properties of bare and Ti adatom adsorbed single-layer silicene and germanene, which are charged or exerted by a perpendicular electric field are modified to attain new functionalities. In particular, when exerted by a perpendicular electric field, the symmetry between the planes of buckled atoms is broken to open a gap at the Dirac points. The occupation of 3d-orbitals of adsorbed Ti atom changes with charging or applied electric field to induce significant changes of magnetic moment. We pred…
We calculate the thermal conductivity of free-standing silicene using the phonon Boltzmann transport equation within the relaxation time approximation. In this calculation, we investigate the effects of sample size and different scattering mechanisms such as phonon-phonon, phonon-boundary, phonon-isotope and phonon-vacancy defect. Moreover, the role of different phonon modes is examined. We show that, in contrast to graphene, the dominant contribution to the thermal conductivity of silicene originates from the in-plane acoustic branches, which is about 70\% at room temperature and this contrib…
The discovery of intriguing properties related to the Dirac states in graphene has spurred huge interest in exploring its two-dimensional group-IV counterparts, such as silicene, germanene, and stanene. However, these materials have to be obtained via synthesizing on substrates with strong interfacial interactions, which usually destroy their intrinsic $π$($p_z$)-orbital Dirac states. Here we report a theoretical study on the existence of Dirac states arising from the $p_{x,y}$ orbitals instead of $p_z$ orbitals in silicene on 4H-SiC(0001), which survive in spite of the strong interfacial inte…
We calculate the magneto-optical conductivity and electronic density of states for silicene, the silicon equivalent of graphene, and similar crystals such as germanene. In the presence of a perpendicular magnetic field and electric field gating, we note that four spin- and valley-polarized levels can be seen in the density of states and transitions between these levels lead to similarly polarized absorption lines in the longitudinal, transverse Hall, and circularly polarized dynamic conductivity. While previous spin and valley-polarization predicted for the conductivity is only present in the …
The feature-rich electronic excitations of monolayer germanene lie in the significant spin-orbital coupling and the buckled structure. The collective and single- particle excitations are diversified by the magnitude and direction of transferred momentum, the Fermi energy and the gate voltage. There are four kinds of plasmon modes, according to the unique frequency- and momentum-dependent phase diagrams. They behave as two-dimensional acoustic modes at long wavelength. However, for the larger momenta, they might change into another kind of undamped plasmons, become the seriously suppressed mode…
Unlike silicene, for which the demonstration of its existence has been done through numerous independent studies, the possibility of growing epitaxial germanene remains highly controversial. It has been recently shown by scanning tunneling microscopy that the (3 x 3) surface reconstruction formed upon Ge deposition on Al(111) presents a honeycomb structure, and it was assigned to a pure germanene monolayer. Using quantitative measurements by surface X-ray diffraction compared to density functional theory calculations, we demonstrate that this Ge/Al(111) (3 x 3) reconstruction corresponds, in f…
We present a computational study of the two-phonon Raman spectra of silicene and graphene within a density-functional non-orthogonal tight-binding model. Due to the presence of linear bands close to the Fermi energy in the electronic structure of both structures, the Raman scattering by phonons is resonant. We find that the Raman spectra exhibit a crossover behavior for laser excitation close to the π-plasmon energy. This phenomenon is explained by the disappearance of certain paths for resonant Raman scattering and the appearance of other paths beyond this energy. Besides that, the electronic…
We study the hybrid excitations due to the coupling between surface optical phonons of a polar insulator substrate and plasmons in the valley-spin-polarized metal phase of silicene under an exchange field. We perform the calculations within the generalized random-phase approximation where the plasmon-phonon coupling is taken into account by the long-range Fr$\ddot{\mathrm{o}}$hlich interaction. Our investigation on two hybridized plasmon branches in different spin and valley subbands shows distinct behavior compared to the uncoupled case. Interestingly, in one valley, it is found that while th…
It has been argued that stanene has lowest lattice thermal conductivity among 2D group-IV materials because of largest atomic mass, weakest interatomic bonding, and enhanced ZA phonon scattering due to the breaking of an out-of-plane symmetry selection rule. However, we show that although the lattice thermal conductivity $κ$ for graphene, silicene and germanene decreases monotonically with decreasing Debye temperature, unexpected higher $κ$ is observed in stanene. By enforcing all the invariance conditions in 2D materials and including Ge $3d$ and Sn $4d$ electrons as valence electrons for ger…
There has been great interest in two-dimensional materials, beyond graphene, for both fundamental sciences and technological applications. Silicene, a silicon counterpart of graphene, has been shown to possess some better electronic properties than graphene. However, its thermal transport properties have not been fully studied. In this paper, we apply the first-principles-based phonon Boltzmann transport equation to investigate the thermal conductivity of silicene as well as the phonon scattering mechanisms. Although both graphene and silicene are two-dimensional crystals with similar crystal …
Silicene is a monolayer of silicon atoms forming a two-dimensional honeycomb lattice, which shares almost every remarkable property with graphene. The low energy structure of silicene is described by Dirac electrons with relatively large spin-orbit interactions due to its buckled structure. The key observation is that the band structure is controllable by applying the electric field to a silicene sheet. In particular, the gap closes at a certain critical electric field. Examining the band structure of a silicene nanoribbon, we demonstrate that a topological phase transition occurs from a topol…
We present density functional theory calculations of the phonon-limited mobility in n-type monolayer graphene, silicene and MoS$_2$. The material properties, including the electron-phonon interaction, are calculated from first-principles. We provide a detailed description of the normalized full-band relaxation time approximation for the linearized Boltzmann transport equation (BTE) that includes inelastic scattering processes. The bulk electron-phonon coupling is evaluated by a supercell method. The method employed is fully numerical and does therefore not require a semi-analytic treatment of …
The power loss $P$ of hot Dirac fermions through the coupling to the intrinsic intravalley and intervalley acoustic and optical phonons is analytically investigated in silicene as a function of electron temperature $T_e$ and density $n_s$. At very low $T_e$, the power dissipation is found to follow the Bloch-Grüneisen power-law $\propto T_e^4$ and $n_s^{-0.5}$, as in graphene, and for $T_e \lesssim20-30$ K, the power loss is predominantly due to the intravalley acoustic phonon scattering. On the other hand, dispersionless low energy intervalley acoustic phonons begin to dominate the power tran…
The electron-phonon interaction and related transport properties are investigated in monolayer silicene and MoS2 by using a density functional theory calculation combined with a full-band Monte Carlo analysis. In the case of silicene, the results illustrate that the out-of-plane acoustic phonon mode may play the dominant role unlike its close relative - graphene. The small energy of this phonon mode, originating from the weak sp2 bonding between Si atoms, contributes to the high scattering rate and significant degradation in electron transport. In MoS2, the longitudinal acoustic phonons show t…
Intervalley Magnetotrions Tunable by Electric and Magnetic Fields in Buckled Two-Dimensional Materials
New York City College of Technology, The City University of New York（纽约市立学院，纽约市立大学）；The Graduate School and University Center, The City University of New York（研究生院与大学中心，纽约市立大学）；Borough of Manhattan Community College, The City University of New York（曼哈顿社区学院，纽约市立大学）
We highlight the fact that two-dimensional materials with Dirac-like low energy band structures and spin-orbit coupling will produce linearly dispersing topologically protected Jackiw-Rebbi modes at interfaces where the Dirac mass changes sign. These modes may support persistent spin or valley currents parallel to the interface, and the exact arrangement of such topologically protected currents depends crucially on the details of the spin-orbit coupling in the material. As examples, we discuss buckled two-dimensional hexagonal lattices such as silicene or germanene, and transition metal dichal…
We study spin-orbit torques in two dimensional hexagonal crystals such as graphene, silicene, germanene and stanene. The torque possesses two components, a field-like term due to inverse spin galvanic effect and an antidamping torque originating from Berry curvature in mixed spin-$k$ space. In the presence of staggered potential and exchange field, the valley degeneracy can be lifted and we obtain a valley-dependent Berry curvature, leading to a tunable antidamping torque by controlling the valley degree of freedom. The valley imbalance can be as high as 100\% by tuning the bias voltage or mag…
We investigate the optical response of the silicene and similar materials, such as germanene, in the presence of an electrically tunable band gap for variable doping. The interplay of spin orbit coupling, due to the buckled structure of these materials, and a perpendicular electric field gives rise to a rich variety of phases: a topological or quantum spin Hall insulator, a valley-spin-polarized metal and a band insulator. We show that the dynamical conductivity should reveal signatures of these different phases which would allow for their identification along with the determination of paramet…
Full ranges of both hybrid plasmon-mode dispersions and their damping are studied systematically by our recently developed mean-field theory in open systems involving a conducting substrate and a two-dimensional (2D) material with a buckled honeycomb lattice, such as silicene, germanene, and a group \rom{4} dichalcogenide as well. In this hybrid system, the single plasmon mode for a free-standing 2D layer is split into one acoustic-like and one optical-like mode, leading to a dramatic change in the damping of plasmon modes. In comparison with gapped graphene, critical features associated with …
We show that the magnetic response of atomically thin materials with Dirac spectrum and spin-orbit interactions can exhibit strong dependence on electron-electron interactions. While graphene itself has a very small spin-orbit coupling, various two-dimensional (2D) compounds "beyond graphene" are good candidates to exhibit the strong interplay between spin-orbit and Coulomb interactions. Materials in this class include dichalcogenides (such as MoS$_2$ and WSe$_2$), silicene, germanene, as well as 2D topological insulators described by the Kane-Mele model. We present a unified theory for their …
In this minireview, we explore the main features and the prospect of plasmonics with two-dimensional semiconductors. Plasmonic modes in each class of van der Waals semiconductors have their own peculiarities, along with potential technological capabilities. Plasmons of transition-metal dichalcogenides share features typical of graphene, due to their honeycomb structure, but with damping processes dominated by intraband rather than interband transitions, unlike graphene. Spin-orbit coupling strongly affects the plasmonic spectrum of buckled honeycomb lattices (silicene and germanene), while the…
Group theory analysis for two-dimensional elemental systems related to phosphorene is presented, including (i) graphene, silicene, germanene and stanene, (ii) dependence on the number of layers and (iii) two stacking arrangements. Departing from the most symmetric $D_{6h}^{1}$ graphene space group, the structures are found to have a group-subgroup relation, and analysis of the irreducible representations of their lattice vibrations makes it possible to distinguish between the different allotropes. The analysis can be used to study the effect of strain, to understand structural phase transition…
Recently, there have been increasing interests in phonon thermal transport in low dimensional materials, due to the crucial importance for dissipating and managing heat in micro and nano electronic devices. Significant progresses have been achieved for one-dimensional (1D) systems both theoretically and experimentally. However, the study of heat conduction in two-dimensional (2D) systems is still in its infancy due to the limited availability of 2D materials and the technical challenges in fabricating suspended samples suitable for thermal measurements. In this review, we outline different exp…
We review the behavior of the entropy per particle in various two-dimensional electronic systems. The entropy per particle is an important characteristic of any many body system that tells how the entropy of the ensemble of electrons changes if one adds one more electron. Recently, it has been demonstrated how the entropy per particle of a two-dimensional electron gas can be extracted from the recharging current dynamics in a planar capacitor geometry. These experiments pave the way to the systematic studies of entropy in various crystal systems including novel two-dimensional crystals such as…
Induced polarization by Dirac electrons in double-layer graphene can affect hybridization of radiative and evanescent fields. Electron back action appears as a localized optical field to modify an incident surface-plasmon-polariton (SPP) evanescent field. This leads to high sensitivity (beyond the diffraction limit) to local environments and provides a scrutiny tool for molecules or protein selectively bounded with carbon. A scattering matrix with frequencies around the surface-plasmon (SP) resonance supports this scrutiny tool and exhibits sensibly the increase, decrease and even a full suppr…
Inspired by the great development of graphene, more and more works have been conducted to seek new two-dimensional (2D) materials with Dirac cones. Although 2D Dirac materials possess many novel properties and physics, they are rare compared with the numerous 2D materials. To provide explanation for the rarity of 2D Dirac materials as well as clues in searching for new Dirac systems, here we review the recent theoretical aspects of various 2D Dirac materials, including graphene, silicene, germanene, graphynes, several boron and carbon sheets, transition metal oxides (VO2)n/(TiO2)m and (CrO2)n/…
In recent years, graphene and other two-dimensional Dirac materials like silicene, germanene, etc. have been studied from different points of view: from mathematical physics, condensed matter physics to high energy physics. In this study, we utilize both supersymmetric quantum mechanics (SUSY-QM) and transfer matrix method (TTM) to examine electronic transport in two-dimensional Dirac materials under the influences of multi-step deformation as well as multi-step Fermi velocity barrier. The effects of multi-step effective mass and multi-step applied fields are also taken into account in our inv…
We show that the electron mobility in ideal, free-standing two-dimensional `buckled' crystals with broken horizontal mirror ($σ_{\rm h}$) symmetry and Dirac-like dispersion (such as silicene and germanene) is dramatically affected by scattering with the acoustic flexural modes (ZA phonons). This is caused both by the broken $σ_{\rm h}$ symmetry and by the diverging number of long-wavelength ZA phonons, consistent with the Mermin-Wagner theorem. Non-$σ_{\rm h}$-symmetric, `gapped' 2D crystals (such as semiconducting transition-metal dichalcogenides with a tetragonal crystal structure) are affec…
Graphene, Silicene, $\mathrm{MoS}_2$ and other similar two-dimensional structures have unusual electronic properties that lend themselves to exotic device applications. These properties emanate from the fact that the electrons are endowed with Dirac fermion-like attributes. Thus these materials are not only characterized by certain fundamental principles, they also have amazing practical uses. Our emphasis here is on one such basic property concerning nonlinear response to time-dependent electric fields. We set up a first principle quantum master equation for the underlying density operator wh…
In honeycomb Dirac systems with broken inversion symmetry, orbital magnetic moments coupled to the valley degree of freedom arise due to the topology of the band structure, leading to valley-selective optical dichroism. On the other hand, in Dirac systems with prominent spin-orbit coupling, similar orbital magnetic moments emerge as well. These moments are coupled to spin, but otherwise have the same functional form as the moments stemming from spatial inversion breaking. After reviewing the basic properties of these moments, which are relevant for a whole set of newly discovered materials, su…
The fundamental spin-orbit coupling and spin mixing in graphene and rippled honeycomb lattice materials silicene, germanene, stanene, blue phosphorene, arsenene, antimonene, and bismuthene is investigated from first principles. The intrinsic spin-orbit coupling in graphene is revisited using multi-band $k\cdot p$ theory, showing the presence of non-zero spin mixing in graphene despite the mirror symmetry. However, the spin mixing itself does not lead to the the Elliott-Yafet spin relaxation mechanism, unless the mirror symmetry is broken by external factors. For other aforementioned elemental …
The elemental two-dimensional (2D) materials such as graphene, silicene, germanene, and black phosphorus have attracted considerable attention due to their fascinating physical properties. Structurally they possess the honeycomb or distorted honeycomb lattices, which are composed of six-atom rings. Here we find a new structure of 2D allotropes of group V elements composed of eight-atom rings, which we name as the octagonal tiling (OT) structure. First-principles calculations indicate that these allotropes are dynamically stable and are also thermally stable at temperatures up to 600 K. These a…
Spin valves consisting of heterostructures of single-layer hexagonal crystal on an antiferromagnetic substrate or of bilayer hexagonal crystal intercalated between two (anti)ferromagnetic insulators, with the current-in-plane geometry, are proposed. The two-dimensional hexagonal crystals such as graphene, silicene, germanene, and stanene are modeled by the tight binding model of honeycomb lattice. The magnetization orientation of the antiferromagnetic substrate(s) controls the band gap and topological properties of bulk, which in turn control the transport of three types of spin valve geometri…
