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Cao, Ting

Publications and source records attributed to Cao, Ting.

11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Polarization-driven band topology evolution in twisted MoTe 2 and WSe 2

Motivated by recent experimental observations of opposite Chern numbers in R-type twisted MoTe 2 and WSe 2 homobilayers, we perform large-scale density-functional-theory calculations with machine learning force fields to investigate moiré band topology across a range of twist angles in both materials. We find that the Chern numbers of the moiré frontier bands change sign as a function of twist angle, and this change is driven by the competition between moiré ferroelectricity and piezoelectricity. Our large-scale calculations, enabled by machine learning methods, reveal crucial insights into interactions across different scales in twisted bilayer systems. The interplay between atomic-level relaxation effects and moiré-scale electrostatic potential variation opens new avenues for the design of intertwined topological and correlated states, including the possibility of mimicking higher Landau level physics in the absence of magnetic field.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Proximity-Induced Exchange Interaction: A New Pathway for Quantum Sensing Using Spin Centers in Hexagonal Boron Nitride

Defects in hexagonal boron nitride (hBN), a two-dimensional van der Waals material, have attracted a great deal of interest because of its potential in various quantum applications. Due to hBN’s two-dimensional nature, the spin center in hBN can be engineered in the proximity of the target material, providing advantages over its three-dimensional counterparts, such as the nitrogen-vacancy center in diamond. Here, in this work, we propose a novel quantum sensing protocol driven by exchange interaction between the spin center in hBN and the underlying magnetic substrate induced by the magnetic proximity effect. By first-principles calculation, we demonstrate that the induced exchange interaction dominates over the dipole–dipole interaction by orders of magnitude when in the proximity. The interaction remains antiferromagnetic across all stacking configurations between the spin center in hBN and the target van der Waals magnets. Additionally, we explored the scaling behavior of the exchange field as a function of the spatial separation between the spin center and the targets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Observation of flat and weakly dispersing bands in the van der Waals semiconductor Nb 3 Br 8 with breathing kagome lattice

Niobium halides, Nb 3 ⁢X 8 (X=Cl,Br,I), which are predicted two-dimensional magnets, have recently gotten attention due to their breathing kagome geometry. Here we have studied the electronic structure of Nb 3⁢ Br 8 by using angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations. ARPES results depict the presence of multiple flat and weakly dispersing bands. These bands are well explained by the theoretical calculations, which show they have Nbd character indicating their origination from the Nb atoms forming the breathing kagome plane. This van der Waals material can be easily thinned down via mechanical exfoliation to the ultrathin limit and such ultrathin samples are stable as depicted from the time-dependent Raman spectroscopy measurements at room temperature. Finally, these results demonstrate that Nb 3 ⁢Br 8 is an excellent material not only for studying breathing kagome induced flat band physics and its connection with magnetism but also for heterostructure fabrication and for practical application.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Designing Magnetic Properties in CrSBr through Hydrostatic Pressure and Ligand Substitution

Abstract Magnetic van der Waals (vdW) materials are a promising platform for producing atomically thin spintronic and optoelectronic devices. The A‐type antiferromagnet CrSBr has emerged as a particularly exciting material due to its high magnetic ordering temperature, semiconducting electrical properties, and enhanced chemical stability compared to other vdW magnets. Exploring mechanisms to tune its magnetic properties will facilitate the development of nanoscale devices based on vdW materials with designer magnetic properties. Here it is investigated how the magnetic properties of CrSBr change under pressure and ligand substitution. Pressure compresses the unit cell, increasing the interlayer exchange energy while lowering the Néel temperature. Ligand substitution, realized synthetically through Cl alloying, anisotropically compresses the unit cell and suppresses the Cr‐halogen covalency, reducing the magnetocrystalline anisotropy energy and decreasing the Néel temperature. A detailed structural analysis combined with first‐principles calculations reveals that alterations in the magnetic properties are intricately related to changes in direct Cr–Cr exchange interactions and the Cr–anion superexchange pathways. Further, it is demonstrated that Cl alloying enables chemical tuning of the interlayer coupling from antiferromagnetic to ferromagnetic, which is unique among known two‐dimensional magnets.

Telford, Evan J.↗
DOE OSTI2023

Signatures of fractional quantum anomalous Hall states in twisted MoTe 2

The interplay between spontaneous symmetry breaking and topology can result in exotic quantum states of matter. A celebrated example is the quantum anomalous Hall (QAH) state, which exhibits an integer quantum Hall effect at zero magnetic field owing to intrinsic ferromagnetism. In the presence of strong electron–electron interactions, fractional QAH (FQAH) states at zero magnetic field can emerge. These states could host fractional excitations, including non-Abelian anyons—crucial building blocks for topological quantum computation9. Here we report experimental signatures of FQAH states in a twisted molybdenum ditelluride (MoTe 2 ) bilayer. Magnetic circular dichroism measurements reveal robust ferromagnetic states at fractionally hole-filled moiré minibands. Using trion photoluminescence as a sensor, we obtain a Landau fan diagram showing linear shifts in carrier densities corresponding to filling factor v = −2/3 and v = −3/5 ferromagnetic states with applied magnetic field. These shifts match the Streda formula dispersion of FQAH states with fractionally quantized Hall conductance of ${\sigma }_{xy}=-\,\frac{2}{3}\frac{{e}^{2}}{h}$ and ${\sigma }_{xy}=-\,\frac{3}{5}\frac{{e}^{2}}{h}$ , respectively. Moreover, the v = −1 state exhibits a dispersion corresponding to Chern number −1, consistent with the predicted QAH state. In comparison, several non-ferromagnetic states on the electron-doping side do not disperse, that is, they are trivial correlated insulators. The observed topological states can be electrically driven into topologically trivial states. Our findings provide evidence of the long-sought FQAH states, demonstrating MoTe 2 moiré superlattices as a platform for exploring fractional excitations.

Quantum Hall↗
DOE OSTI2023

Dipole ladders with large Hubbard interaction in a moiré exciton lattice

Two-dimensional semiconductor moiré superlattices have emerged as a powerful platform for engineering correlated electronic phenomena. On the other hand, optical excitation creates charge neutral interlayer excitons with an out-of-plane electric dipole. Strong onsite dipole–dipole interaction promises the formation of correlated bosonic states, akin to the Mott states of electrons, but has not yet been demonstrated. Here we report a large interaction between excitons occupying the same moiré lattice site—characterized by the Hubbard U parameter—and consequent dipole ladders with spin- and electron-filling dependence in WSe 2 /WS 2 moiré superlattices. Photoluminescence measurements show successive peaks emerging with an energy separation of around 34 meV above the ground state as the exciton density is increased. This corresponds to the sequential injection of excitons into a single site with an energy cost to overcome the large exciton Hubbard U, forming a dipole ladder. Based on findings of local magnetic moments at two holes per moiré cell, we show that excitons can also fill a second moiré orbital, establishing the two-orbital nature of the moiré potential landscape. Our results show that the Bose–Hubbard model with possible exciton crystal phases can be investigated in interacting opto-moiré quantum matter.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Gate-Tunable Phonon Magnetic Moment in Bilayer Graphene

Here we develop a first-principles quantum scheme to calculate the phonon magnetic moment in solids. As a showcase example, we apply our method to study gated bilayer graphene, a material with strong covalent bonds. According to the classical theory based on the Born effective charge, the phonon magnetic moment in this system should vanish, yet our quantum mechanical calculations find significant phonon magnetic moments. Furthermore, the magnetic moment is highly tunable by changing the gate voltage. Our results firmly establish the necessity of the quantum mechanical treatment, and identify small-gap covalent materials as a promising platform for studying tunable phonon magnetic moment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Intercell moiré exciton complexes in electron lattices

Excitons, Coulomb-bound electron–hole pairs, play a crucial role in both optical excitation and correlated phenomena in solids. When excitons interact with other quasiparticles, few- and many-body excited states can appear. Here, in this work, we report an interaction between exciton and charges enabled by unusual quantum confinement in two-dimensional moiré superlattices, which results in many-body ground states composed of moiré excitons and correlated electron lattices. In an H-stacked (60 o -twisted) WS 2 /WSe 2 heterobilayer, we found an interlayer moiré exciton whose hole is surrounded by its partner electron’s wavefunction distributed among three adjacent moiré traps. This three-dimensional excitonic structure enables large in-plane electrical quadrupole moments in addition to the vertical dipole. Upon doping, the quadrupole facilitates the binding of interlayer moiré excitons to the charges in neighbouring moiré cells, forming intercell charged exciton complexes. Our work provides a framework for understanding and engineering emergent exciton many-body states in correlated moiré charge orders.

36 MATERIALS SCIENCE↗