Controllable Valley Polarization Using Silicene Double Line Defects Due to Rashba Spin-Orbit Coupling
Abstract
We theoretically investigate the valley polarization in silicene with two parallel line defects due to Rashba spin-orbit coupling (RSOC). It is found that as long as RSOC exceeds the intrinsic spin-orbit coupling (SOC), the transmission coefficients of the two valleys oscillate with the same periodicity and intensity, which consists of wide transmission peaks and zero-transmission plateaus. However, in the presence of a perpendicular electric field, the oscillation periodicity of the first valley increases, whereas that of the second valley shortens, generating the corresponding wide peak-zero plateau regions, where perfect valley polarization can be achieved. Moreover, the valley polarizability can be changed from 1 to −1 by controlling the strength of the electric field. Our findings establish a different route for generating valley-polarized current by purely electrical means and open the door for interesting applications of semiconductor valleytronics.
Keywords
Silicene Line defect Rashba spin orbit coupling Valley polarizationAbbreviations
- 2D
Two-dimensional
- ELD
Extended line defect
- FET
Field-effect transistor
- RSOC
Rashba spin-orbit coupling
- SOC
Intrinsic spin-orbit coupling
Introduction
Silicene, a low-buckled monolayer-honeycomb lattice of silicon atoms, is a potentially attractive alternative to graphene for valleytronic applications. The low-buckled structure gives rise to relatively large spin-orbit coupling (SOC) in silicene, and a sizable energy gap of approximately 1.55 meV is estimated at the Dirac points K and K′[1] Different from graphene, the low energy dispersion relation of silicene is parabolic rather than linear form. Facilitated by the buckling structure, the band structure of silicene can be controlled by applying an electric field, and even a topological phase transition from a quantum spin Hall insulator to a quantum Valley Hall insulator may occur[2, 3]. Silicene has been successfully synthesized on the surface of substrates such as Ag(111), Ir(111), and ZrB2(0001)[4, 5, 6], and its free-standing stable structure has also been predicted in several theoretical studies[7]. Most importantly, a room-temperature silicene field-effect transistor (FET) has been successfully observed experimentally[8]. The electric field tunability and compatibility with existing silicon-based devices make silicene a potential two-dimensional material for application in next-generation valleytronics.
a Schematic diagram of the precession process of the states (K,↑)(red sphere) and (K′,↓)(blue sphere) through a silicene sheet with two parallel line defects, where the blue (red) circle denotes the A(B) sublattice. The states (K,↑) and (K′,↓) circulate along the pseudo-edge, and the RSOC as well as electric field is assumed to exist on the french grey region. W(W=2) and WR(WR=1) represent the width of the scattering region in units of \(\sqrt {3}a\). b The simplifed lattice model of the infnite silicene with a line defect, where θ=kya and the dotted rectangle corresponds to a supercell. In the unit cell, the lattice points are specified by a set of indices (L,l). c The transmission for one spin state in the K(K′) valley across line defect with inversion domain boundaries. The insets show the orientation of the crystalline lattice in the two domains separated by the line defect (dashed line). The thick/thin lines indicate that the transmission is restrained across the line defect due to the helical edge states flowing inversely along the pseudoedge
In this paper, we propose an efficient way to polarize the Dirac fermions of different valleys using the silicene double line defects, thus creating distinct valley polarization by utilizing the electric field in silicene. Our results show that when the Fermi energy is near the bottom of conduction band, the oscillation images of the transmission coefficients from two valleys, which comprise wide oscillating peaks and nadirs, coincide as long as RSOC exceeds the intrinsic SOC, while the presence of only a single line defect cannot disperse the valley-dependent electrons. When two parallel line defects are involved, the oscillating nadirs evolve into zero-transmission plateaus, and effective modulation of valley-dependent transport can be realized by changing the oscillation periodicity of the two Dirac valleys with a perpendicular electric field, where the oscillation periodicity of the two valleys increases and decreases and leads to the perfect valley polarization at the wide peak-zero plateau corresponding regions. In experiment, one can detect such pure valley current by measuring the change of conductance with the electric field. This phenomenon provides a different route for effectively modulating the valley polarization in silicene devices by utilizing the RSOC and electric fields.
Methods
Let us start from the schematic of a two-terminal silicene line defect device, as shown in Fig. 1a, in which the spin precession is illustrated to generate the valley-polarized current due to the RSOC and electric field. It is supposed that RSOC exists on one side of the line defect with width W and WR in units of \(\sqrt {3}a\), where a=3.86 Å is the lattice constant of pristine silicene, as shown in Fig. 1a. When the Fermi energy is located at the bottom of conduction band, the states (K,↓)[ (K,↓) corresponds to a state in valley K with ↓(down) spin] and (K′,↑) are in the gap due to the manipulation of energy band from RSOC. The other two states, (K,↑) and (K′,↓), circulate along the pseudo-edge because of the spin-momentum locking characteristic from SOC[24], as shown in Fig. 1a. For a definite spin state, it flows along the pseudo-edge with opposite directions on both sides of the line defect which can act as a filter and restrain the transmission across the line defect, as depicted in Fig. 1c.
where \(c_{i\alpha }^{\dag }\) and \(c_{i_{y}\alpha,\gamma /\delta }^{\dag }\) represent the electron creation operator with spin α at silicene site i and the line defect, respectively, and 〈〉/〈〈〉〉 runs over all nearest-/next-nearest-neighbor-hopping sites. The first three terms denote nearest-neighbor hopping and the parameters t,τ1, and τ2 denote various nearest-neighbor hopping energies in the tight-binding model, as shown in Fig. 1b. The fourth term is the effective SOC with the hopping parameter tso, and νij=±1 for counterclockwise (clockwise) hopping between the next-nearest-neighboring sites with respect to the positive z-axis. A theoretical investigation [16] has shown that the two nearest Si atoms in the defect region are relatively identical to those in the pristine region and that all Si atoms remain in the sp2−sp3 hybridized state. Therefore, it is reasonable to set τ2=τ1=t. In the fifth term, Δz is the staggered sublattice potential that arises from an electric field perpendicular to the silicene sheet, and μi=±1 for the A(B) site. The last term represents the extrinsic RSOC term where tR is the Rashba spin-orbit hopping parameter. dij is the unit vector pointing from site j to i, and \(\vec {\sigma }=(\sigma ^{x},\sigma ^{y},\sigma ^{z})\) in Eq. 1 is the vector of real spin Pauli matrices. The RSOC arises from external potential applied by either an electric gate, metal-atom adsorption or a substrates [20, 25] which can dramatically break the structure inversion symmetry of silicene. Notably, the extrinsic RSOC originating from the electric field is ignored because it is very weak.
where \(\varphi _{i,l}^{\dag }=\left [ c_{{{k}_{y}},i,l,A\uparrow }^{\dag }, c_{{{k}_{y}},i,l,A\downarrow }^{\dag }, c_{{{k}_{y}},i,l,B\uparrow }^{\dag },c_{{{k}_{y}},i,l,B\downarrow }^{\dag }\right ]\), i in the set of index (i,l) represents the position of a supercell \((\bar {i}=-i)\), and l=1 or 2 denotes different zigzag chains in a supercell, as shown in the dashed rectangle in Fig. 1b. \(\hat {T_{ll'}}\) represents the Hamiltonian matrix of each zigzag chain (l=l′) in a supercell or the interplay between different zigzag chains (l≠l′).
Results and Discussion
In the calculations of the spin-dependent transmission coefficients, we set τ2=τ1=t=1 as the energy unit, the SOC strength tso=0.005t, and the Fermi energy Ef=1.001tso, which is situated at the bottom of the conduction band. The width of the scattering region is W=1000 for the single line defect and an additional width WR=1000 is also taken into account for the two parallel line defects, as shown in Fig. 1a.
Spin-conserved and spin-flip transmission coefficients as functions of the incident angles α at tR=5tso in a and as functions of the RSOC strength tR in b–d, where a-c are for the single line defect and d is for the two parallel line defects, with Δz=0.2tso in c
In the presence of a perpendicular electric field, the valley degeneracy is lifted, and the oscillating behaviors of the two valleys differs: the oscillating periodicity of the K valley increases, while that of the \(K^{\prime }\) valley decreases, as shown in Fig. 2c. However, it seems infeasible to filter one conical valley state with only a single line defect because the oscillating nadirs have a definite magnitude. Naturally, one may consider the oscillating phenomenon with two parallel line defects to further restrain the transmission, as shown in Fig. 2d. Comparing Fig. 2b with d reveals that the oscillation peak becomes narrow and acute, while the oscillation nadir broadens and weakens, which forms the zero-transmission platform. The space between two neighboring oscillation peaks is fixed at 3.25tso, as characterized by the two dashed lines in Fig. 2d.
The total transmission coefficients \(T_{K}/T_{K^{\prime }}\) (a, b) and the spin/valley polarization (c, d) as a function of the RSOC strength tR for different sublattice potentials. Δz=0.15tso in a and c and Δz=0.3tso in b and d; the other parameters are identical to those in Fig. 2d
Valley polarization a and \(T_{K}/T_{K^{\prime }}\) (b–d) as functions of Δz and tR. tR=7.2tso in (b–d), Ef=1.5tso in c and d, and the on-site energy is E=0.15t in the left electrode in d; all other parameters are identical to those in Fig. 2d
Conclusions
We have proposed an electrical method for generating a valley-polarized current in silicene line defects. In sharp contrast to the conventional electrical approaches that are used to produce valley-polarized current, we explore the RSOC, which is considered to tune the widely used spin polarization in spin-polarized FETs. It is found that the transmission coefficients of the two valleys oscillate with the same periodicity and intensity, which is composed of transmission peaks and zero-transmission plateaus. The valley-polarized current can be generated by tuning the oscillating periodicity of the two valleys with an electric field, which can destroy the symmetry of the valley states and bring about the corresponding transmission peak-zero plateau regions. Moreover, we also provide a scheme to detect the pure valley current in experiment and the results may shed light on the manipulation of valley-polarized currents by electrical means.
Notes
Acknowledgements
Not applicable.
Authors’ Contributions
HYT and CDR together carried out the physical idea and were major contributors in writing the manuscript. BHZ derived the algorithm to calculate the transmission coefficients with RSOC, HYT, and CDR carried out the numerical results of calculations. WTL provided guidance in improving the quality of the manuscript. YFL, JL, and SYZ participated in the result analysis and manuscript preparation. All authors reviewed the manuscript. All authors read and approved the final manuscript.
Funding
This work was supported by the NNSF of China (nos. 11974153, 11704165, and 11864047), the Natural Science Foundation of Shandong Province (nos. ZR2017JL007, ZR2019MA030, and ZR2016AL09), China Scholarship Council (no. 201908320001), the Science Foundation of Guizhou Provincial Education Department (no. QJHKYZ[2016]092), the Major Research Project for Innovative Group of Education Department of Guizhou Province (no. KY[2018]028) and the Scientific Research Fund of Hunan Provincial Education Department (no. 17A193).
Competing Interests
The authors declare that they have no competing interests.
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