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Register a new userElectric field induced topological phase transition and large enhancements of spin-orbit coupling and Curie temperature in two-dimensional ferromagnetic semiconductors
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Tuning topological and magnetic properties of materials by applying an electric field is widely used in spintronics. In this work, we find a topological phase transition from topologically trivial to nontrivial states at an external electric field of about 0.1 V/A in MnBi$_2$Te$_4$ monolayer that is a topologically trivial ferromagnetic semiconductor. It is shown that when electric field increases from 0 to 0.15 V/A, the magnetic anisotropy energy (MAE) increases from about 0.1 to 6.3 meV, and the Curie temperature Tc increases from 13 to about 61 K. The increased MAE mainly comes from the enhanced spin-orbit coupling due to the applied electric field. The enhanced Tc can be understood from the enhanced $p$-$d$ hybridization and decreased energy difference between $p$ orbitals of Te atoms and $d$ orbitals of Mn atoms. Moreover, we propose two novel Janus materials MnBi$_2$Se$_2$Te$_2$ and MnBi$_2$S$_2$Te$_2$ monolayers with different internal electric polarizations, which can realize quantum anomalous Hall effect (QAHE) with Chern numbers $C$=1 and $C$=2, respectively. Our study not only exposes the electric field induced exotic properties of MnBi2Te4 monolayer, but also proposes novel materials to realize QAHE in ferromagnetic Janus semiconductors with electric polarization.
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Based on the first-principles calculations and theoretical analysis, we investigate the electronic structures, topological phase transition (TPT) and topological properties of layered magnetic compound MnSb2Te4. It has the similar crystal and magnetic structure as the magnetic topological insulator MnBi2Te4. We find that when the spin-orbit coupling (SOC) is considered, the band structure of MnSb2Te4 in antiferromagnetic (AFM) state has no band inversion at {Gamma}. This is due to the SOC strength of Sb is less than that of Bi. The band inversion can be realized by increasing the SOC of Sb by 0.3 times, which drives MnSb2Te4 from a trivial AFM insulator to an AFM topological insulator (TI) or axion insulator. Uniaxial compressive strain along the layer stacking direction is another way to control the band inversion. The interlayer distance shorten by 5% is needed to drive the similar TPT. For the ferromagnetic (FM) MnSb2Te4 with experimental crystal structure, it is a normal FM insulator. The band inversion can happen when SOC is enhanced by 0.1 times or the interlayer distance is decreased by more than 1%. Thus, FM MnSb2Te4 can be tuned to be the simplest type-I Weyl semimetal with only one pair of Weyl nodes on the three-fold rotational axis. These two Weyl nodes are projected onto (1-10) surface with one Fermi arc connecting them.
Topological phase transition is a hot topic in condensed matter physics and computational material science. Here, we investigate the electronic structure and phonon dispersion of the two-dimensional (2D) platinum ditelluride ($PtTe_2$) using the density functional theory. It is found that the $PtTe_2$ monolayer is a trivial insulator with an indirect band gap of 0.347eV. Based on parity analysis, the biaxial tensile strain can drive the topological phase transition. As the strain reaches 19.3%, $PtTe_2$ undergoes a topological phase transition, which changes from a trivial band insulator to a topological insulator with $Z_2=1$. Unlike conventional honeycomb 2D materials with topological phase transition, which gap closes at K points, the strained $PtTe_2$ monolayer becomes gapless at M points under critical biaxial strain. The band inversion leads the switch of the parities near the Fermi level, which gives rise to the topological phase transition. The novel monolayer $PtTe_2$ has a potential application in the field of micro-electronics.
We propose two-dimensional (2D) Ising-type ferromagnetic semiconductors TcSiTe3, TcGeSe3, and TcGeTe3 with high Curie temperatures around 200-0500 K. Owing to large spin-orbit couplings, the large magnetocrystalline anisotropy energy (MAE), large anomalous Hall conductivity, and large magneto-optical Kerr effect were discovered in these intriguing 2D materials. By comparing all possible 2D MGeTe3 materials (M = 3d, 4d, 5d transition metals), we found a large orbital moment around 0.5 $mu$B per atom and a large MAE for TcGeTe3. The large orbital moments are revealed to be from the comparable crystal fields and electron correlations in these Tc-based 2D materials. The microscopic mechanism of the high Curie temperature is also addressed. Our findings reveal the unique magnetic behaviors of 2D Tc-based materials and present a family of 2D ferromagnetic semiconductors with large MAE and Kerr rotation angles that would have wide applications in designing spintronic devices.
We present a theoretical study of the in-plane electric filed induced exciton dissociation in two dimensional (2D) transition metal dichcogenides MX$_2$ (M=Mo, W; X=S, Se). The exciton resonance states are determined from continuum states by the complex coordinate rotation method with the Lagrange mesh method to solve the exciton Hamiltonian. Our results show that the exciton dissociation process can be effectively controlled by the electric field. The critical electric fields needed for ground state exciton to make the dissociation process dominating over combination processes is in the range of 73 - 91 V/$mu$m for monolayer MX$_2$. Compared with ground state exciton, the excited excitons are more easily to be dissociated due to their delocalization nature, e.g. the critical field for 2$s$ excited state is as low as 12 - 16 V/$mu$m . More importantly, we found that exciton become more susceptive to external electric field and a much smaller critical electric field is needed in the presence of a dielectric substrate and in finite-layer MX$_2$. This work may provide a promising way to enhance the exciton dissociation process and improve the performance of 2D materials based optoelectronic devices.
Two-dimensionally confined electrons showing unusually large thermopower (S) have attracted attention as a potential approach for developing high performance thermoelectric materials. However, enhanced S has never been observed in electric field induced two-dimensional electron gas (2DEG). Here we demonstrate electric field modulation of S for a field effect transistor (FET) fabricated on a SrTiO3 crystal using a water-infiltrated nanoporous glass as the gate insulator. An electric field application confined carrier electrons up to ~2E15 /cm^2 in an extremely thin (~2 nm) 2DEG. Unusually large enhancement of |S| was observed when the sheet carrier concentration exceeded 2.5E14 /cm^2, and it modulated from ~600 (~2E15 /cm^2) to ~950 {mu}V/K (~8E14 /cm^2), which were approximately five times larger than those of the bulk, clearly demonstrating that an electric field induced 2DEG provides unusually large enhancement of |S|.
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