arXiv subjects

Mingxing Chen

Publications and source records attributed to Mingxing Chen.

25 records · Page 2Linked to original sources

arXiv2020

Effects of substrate-surface reconstruction and orientation on spin-valley polarization in MoTe$_2$/EuO

We investigate the spin-valley polarization in MoTe$_2$ monolayer on (111) and (001) surfaces of ferromagnetic semiconductor EuO based on first-principles calculations. We consider surface reconstructions for EuO(111). We find that there is no direct chemical bonding between the reconstructed EuO(111) and the MoTe$_2$ overlayer, in contrast to the case of the ideal EuO(111). However, there is a strong hybridization between the states of MoTe$_2$ and the substrate states, which has a substantial impact on the valleys. The valley polarization due to the magnetic proximity effect is dependent on the detail of the interface structure, which is in the range of a few meV to about 40 meV. These values are at least one order of magnitude smaller than that induced by the ideal EuO(111). When the MoTe$_2$ monolayer is interfaced with EuO(001), the valley polarization is about 3.2 meV, insensitive to the interface structure. By a low-energy effective Hamiltonian model, the effective Zeeman field induced by EuO(001) is about 27 T, comparable to that for WSe$_2$/EuS obtained by experiment.

cond-mat.mtrl-sci↗

arXiv2020

Prediction of giant and ideal Rashba-type splitting in ordered alloy monolayers grown on a polar surface

A large and ideal Rashba-type spin-orbit splitting is desired for the applications of materials in spintronic devices and the detection of Majorana Fermions in solids. Here, we propose an approach to achieve giant and ideal spin-orbit splittings through a combination of ordered surface alloying and interface engineering, that is, growing alloy monolayers on an insulating polar surface. We illustrate this unique strategy by means of first-principles calculations of buckled hexagonal monolayers of SbBi and PbBi supported on Al$_2$O$_3$(0001). Both systems display ideal Rashba-type states with giant SO splittings, characterized with energy offsets over 600 meV and momentum offsets over 0.3 $Å^{-1}$, respectively. Our study thus points to an effective way of tuning spin-orbit splitting in low-dimensional materials to draw immediate experimental interest.

cond-mat.mtrl-sci↗

arXiv2020

Deep moiré potentials in twisted transition metal dichalcogenide bilayers

In twisted bilayers of semiconducting transition metal dichalcogenides (TMDs), a combination of structural rippling and electronic coupling gives rise to periodic moiré potentials that can confine charged and neutral excitations. Here, we report experimental measurements of the structure and spectroscopic properties of twisted bilayers of WSe2 and MoSe2 in the H-stacking configuration using scanning tunneling microscopy (STM). Our experiments reveal that the moiré potential in these bilayers at small angles is unexpectedly large, reaching values of above 300 meV for the valence band and 150 meV for the conduction band - an order of magnitude larger than theoretical estimates based on interlayer coupling alone. We further demonstrate that the moiré potential is a non-monotonic function of moiré wavelength, reaching a maximum at around a 13nm moiré period. This non-monotonicity coincides with a drastic change in the structure of the moiré pattern from a continuous variation of stacking order at small moiré wavelengths to a one-dimensional soliton dominated structure at large moiré wavelengths. We show that the in-plane structure of the moiré pattern is captured well by a continuous mechanical relaxation model, and find that the moiré structure and internal strain rather than the interlayer coupling is the dominant factor in determining the moiré potential. Our results demonstrate the potential of using precision moiré structures to create deeply trapped carriers or excitations for quantum electronics and optoelectronics.

cond-mat.mes-hall↗

arXiv2020

Polarity induced electronic and atomic reconstruction at NdNiO2/SrTiO3 interfaces

Superconductivity has recently been observed in Sr-doped NdNiO2 films grown on SrTiO3. Whether it is caused by or related to the interface remains an open question. To address this issue, we use density functional theory calculation and charge transfer self-consistent model to study the effects of polar discontinuity on the electronic and atomic reconstruction at the NdNiO2/SrTiO3 interface. We find that sharp interface with pure electronic reconstruction only is energetically unfavorable, and atomic reconstruction is unavoidable. We further propose a possible interface configuration that contain residual apical oxygen. These oxygen atoms lead to hybrids of dz2 and dx2-y2 states at the Fermi level, which weaken the single-band feature and may be detrimental to superconductivity.

cond-mat.mtrl-sci↗

arXiv2019

Magnetic Proximity Effect in a van der Waals Moiré Superlattice

We investigate the magnetic proximity effect in van der Waals heterostructure formed by a monolayer semiconductor stacked on a 2D ferromagnet, where the lattice mismatch and twisting between the layers typically lead to the formation of moiré pattern. We find that the magnetic proximity effect arising from the spin dependent interlayer coupling depends sensitively on the interlayer atomic registry. Consequently, in the moiré pattern, the spatial variation of the atomic registry leads to a lateral modulation of magnetic proximity field. Such moiré modulated magnetic proximity effect manifests as a miniband spin splitting that strongly depends on the moiré periodicity which can be mechanically tuned by a relative twisting and/or strain between the layers. We also show, because of the moiré modulation on the interlayer distance, a perpendicular electric field can be used to control the miniband spin splitting. Our results suggest potential nanodevices where the moiré modulated magnetic proximity effect can lead to unique spin controllability.

cond-mat.mtrl-sci↗

arXiv2019

Giant magnetic field from moiré induced Berry phase in homobilayer semiconductors

When quasiparticles move in condensed matters, the texture of their internal quantum structure as a function of position and momentum can give rise to Berry phases that have profound effects on materials properties. Seminal examples include the anomalous Hall and spin Hall effects from the momentum-space Berry phases in homogeneous crystals. Here we explore a conjugate form of electron Berry phase arising from the moiré pattern, the texture of atomic configurations in real space. In homobilayer transition metal dichalcogenides, we show the real-space Berry phase from moiré manifests as a periodic magnetic field up to hundreds of Tesla. This quantity tells apart moiré patterns from different origins, which can have identical potential landscape but opposite quantized magnetic flux per supercell. For low energy carriers, the homobilayer moirés realize topological flux lattices for the quantum spin Hall effect. An interlayer bias can continuously tune the spatial profile of moiré magnetic field, whereas the flux per supercell is a topological quantity that can only have a quantized jump observable at moderate bias. We also reveal the important role of the non-Abelian Berry phase in shaping the energy landscape in small moiré. Our work points to new possibilities to access ultra-high magnetic field that can be tailored in the nanoscale by electrical and mechanical controls.

cond-mat.mes-hall↗

arXiv2018

Layer k-projection and unfolding electronic bands at interfaces

The k-projection method provides an approach to separate the contributions from different constituents in heterostructure systems and can act as an aid to connect the results of experiments and calculations. We show that the technique can be used to "unfold" the calculated electronic bands of interfaces and supercells, and provide local band structure by integrating the projected states over specified regions of space, a step that can be implemented efficiently using fast Fourier transforms. We apply the method to investigate the effects of interfaces in heterostructures consisting of a graphene bilayer on H-saturated SiC(0001), BAs monolayer on the ferromagnetic semiconductor CrI3, silicene on Ag(111), and to the Bi2Se3 surface. Our results reveal that the band structure of the graphene bilayer around the Dirac point is strongly dependent on the termination of SiC(0001): on the C face, the graphene is n doped and a gap of ~0.13 eV is opened, whereas, on the Si face, the graphene is essentially unchanged and neutral. We show that for BAs/CrI3, the magnetic proximity effect can effectively induce a spin splitting up to about 50 meV in BAs. For silicene/Ag(111), our calculations reproduce the angle-resolved photoemission spectroscopy results, including linearly dispersing bands at the edge of the first Brillouin zone of Ag(111); although these states result from the interaction between the silicene overlayer and the substrate, we demonstrate that they are not Dirac states.

cond-mat.mtrl-sci↗