arXiv subjects

Ruqian Wu

Publications and source records attributed to Ruqian Wu.

At least 37 records · Page 2Linked to original sources

arXiv2023

Higher-order topological and nodal superconducting transition-metal sulfides MS (M = Nb and Ta)

Intrinsic topological superconducting materials are exotic and vital to develop the next-generation topological superconducting devices, topological quantum calculations, and quantum information technologies. Here, we predict the topological and nodal superconductivity of MS (M = Nb and Ta) transition-metal sulfides by using the density functional theory for superconductors combining with the symmetry indicators. We reveal their higher-order topology nature with an index of Z4 = 2. These materials have a higher Tc than the Nb or Ta metal superconductors due to their flat-band and strong electron-phonon coupling nature. Electron doping and lighter isotopes can effectively enhance the Tc. Our findings show that the MS (M = Nb and Ta) systems can be new platforms to study exotic physics in the higher-order topological superconductors, and provide a theoretical support to utilize them as the topological superconducting devices in the field of advanced topological quantum calculations and information technologies.

cond-mat.supr-con↗

arXiv2023

Higher-dimensional spin selectivity in chiral crystals

This study aims to investigate the interplay between chiral-induced spin-orbit coupling along the screw axis and antisymmetric spin-orbit coupling (ASOC) in the normal plane within a chiral crystal, using both general model analysis and first-principles simulations of InSeI, a chiral van der Waals crystal. While chiral molecules of light atoms typically exhibit spin selectivity only along the screw axis, chiral crystals with heavier atoms can have strong ASOC effects that influence spin-momentum locking in all directions. The resulting phase diagram of spin texture shows the potential for controlling phase transition and flipping spin by reducing symmetry through surface cleavage, thickness reduction or strain. We also experimentally synthesized high-quality InSeI crystals of the thermodynamically stable achiral analogue which showed exposed (110) facets corresponding to single-handed helices to demonstrate the potential of material realization for higher-dimensional spin selectivity in the development of spintronic devices.

cond-mat.mes-hall↗

arXiv2023

Controllable Strain-driven Topological Phase Transition and Dominant Surface State Transport in High-Quality HfTe5 Samples

Controlling materials to create and tune topological phases of matter could potentially be used to explore new phases of topological quantum matter and to create novel devices where the carriers are topologically protected. It has been demonstrated that a trivial insulator can be converted into a topological state by modulating the spin-orbit interaction or the crystal lattice. However, there are limited methods to controllably and efficiently tune the crystal lattice and at the same time perform electronic measurements at cryogenic temperatures. Here, we use large controllable strain to demonstrate the topological phase transition from a weak topological insulator phase to a strong topological insulator phase in high-quality HfTe5 samples. After applying high strain to HfTe5 and converting it into a strong topological insulator, we found that the sample's resistivity increased by more than two orders of magnitude (24,000%) and that the electronic transport is dominated by the topological surface states at cryogenic temperatures. Our findings show that HfTe5 is an ideal material for engineering topological properties, and it could be generalized to study topological phase transitions in van der Waals materials and heterostructures. These results can pave the way to create novel devices with applications ranging from spintronics to fault-tolerant topologically protected quantum computers.

cond-mat.mtrl-sci↗

arXiv2023

Topological and nodal superconductor kagome magnesium triboride

Recently the kagome compounds have inspired enormous interest and made some great progress such as in the field of superconductivity and topology. Here we predict a different kagome magnesium triboride (MgB3) superconductor with a calculated Tc ~12.2 K and Tc ~15.4 K by external stress, the potentially highest among the reported diverse kagome-type superconductors. We reveal its various exotic physical properties including the van Hove singularity, flat-band, multiple Dirac points, and nontrivial topology. The system can be described by a two-band model with highly anisotropic superconducting gaps on Fermi surfaces. Its topological and nodal superconducting nature is unveiled by a recently developed symmetry indicators method. Our results suggest that MgB3 can be a new platform to study exotic physics in the kagome structure, and pave a way to seek for more superconductors and topological materials with XY3-type kagome lattice.

cond-mat.supr-con↗

arXiv2022

Tunable Quantum Anomalous Hall Effects in Ferromagnetic van der Waals Heterostructures

The quantum anomalous Hall effect (QAHE) has unique advantages in topotronic applications, but it is still challenging to realize the QAHE with tunable magnetic and topological properties for building functional devices. Through systematic first-principles calculations, we predict that the in-plane magnetization induced QAHE with Chern numbers C = $\pm$1 and the out-of-plane magnetization induced QAHE with high Chern numbers C = $\pm$3 can be realized in a single material candidate, which is composed of van der Waals (vdW) coupled Bi and MnBi$_2$Te$_4$ monolayers. The switching between different phases of QAHE can be controllable by multiple ways, such as applying strain or (weak) magnetic field or twisting the vdW materials. The prediction of an experimentally available material system hosting robust, highly tunable QAHE will stimulate great research interest in the field. Our work opens a new avenue for the realization of tunable QAHE and provides a practical material platform for the development of topological electronics.

physics.comp-ph↗

arXiv2022

Distinguishing two-component anomalous Hall effect from topological Hall effect

In transport, the topological Hall effect (THE) presents itself as non-monotonic features (or humps and dips) in the Hall signal and is widely interpreted as a sign of chiral spin textures, like magnetic skyrmions. However, when anomalous Hall effect (AHE) is also present, the co-existence of two AHEs could give rise to similar artifacts, making it difficult to distinguish between genuine THE with AHE and two-component AHE. Here we confirm genuine THE with AHE by means of transport and magneto-optical Kerr effect (MOKE) microscopy, in which magnetic skyrmions are directly observed, and find that genuine THE occurs in the transition region of the AHE. In sharp contrast, the artifact "THE", or two-component AHE occurs well beyond the saturation of the "AHE component" (under the false assumption of THE+AHE). Furthermore, we distinguish artifact "THE" from genuine THE by three methods: 1. Minor loops, 2. Temperature dependence, 3. Gate dependence. Minor loops of genuine THE with AHE are always within the full loop, while minor loops of the artifact "THE" may reveal a single loop that cannot fit into the "AHE component". Besides, the temperature or gate dependence of the artifact "THE" may also be accompanied by a polarity change of the "AHE component", as the non-monotonic features vanish, while the temperature dependence of genuine THE with AHE reveals no such change. Our work may help future researchers to exercise cautions and use these methods to examine carefully in order to ascertain genuine THE.

cond-mat.mtrl-sci↗

arXiv2022

Remote control of spin polarization of topological corner states

In two-dimensional higher-order topological insulators, the corner states are separated by a non-negligible distance. The crystalline symmetries protect the robustness of their corner states with long-range entanglement, which are robust against time-reversal breaking perturbations. Here, we demonstrate the possibility of direct control of the topological corner states by introducing the spin degree of freedom in a rhombus-shaped Kekulé nanostructure with local magnetization and local electric potential. By applying a local magnetization on one corner, the other corner can also be strongly spin polarized. By further applying a local electric potential at the same corner, the sign of the spin polarization can be reversed at both corners. We demonstrate the material realization in a $γ$-graphyne nanostructure with Mn adsorption and Si replacement at one corner by using the first-principles calculations. Our studies give a showcase of the remote correlation of quantum states in higher-order topological materials for spintronic and quantum applications.

cond-mat.mes-hall↗

arXiv2022

Multifunctional Two-dimensional van der Waals Janus Magnet Cr-based Dichalcogenide Halides

Two-dimensional van der Waals Janus materials and their heterostructures offer fertile platforms for designing fascinating functionalities. Here, by means of systematic first-principles studies on van der Waals Janus monolayer Cr-based dichalcogenide halides CrYX (Y=S, Se, Te; X=Cl, Br, I), we find that CrSX (X=Cl, Br, I) are the very desirable high TC ferromagnetic semiconductors with an out-of-plane magnetization. Excitingly, by the benefit of the large magnetic moments on ligand S2- anions, the sought-after large-gap quantum anomalous Hall effect and sizable valley splitting can be achieved through the magnetic proximity effect in van der Waals heterostructures CrSBr/Bi2Se3/CrSBr and MoTe2/CrSBr, respectively. Additionally, we show that large Dzyaloshinskii-Moriya interactions give rise to skyrmion states in CrTeX (X=Cl, Br, I) under external magnetic fields. Our work reveals that two-dimensional Janus magnet Cr-based dichalcogenide halides have appealing multifunctionalities in the applications of topological electronic and valleytronic devices.

cond-mat.mtrl-sci↗

arXiv2022

Atomic-scale origin of the low grain-boundary resistance in perovskite solid electrolytes

Oxide solid electrolytes (OSEs) have the potential to achieve improved safety and energy density for lithium-ion batteries, but their high grain-boundary (GB) resistance is a general bottleneck. In the most well studied perovskite OSE, Li3xLa2/3-xTiO3 (LLTO), the ionic conductivity of GBs is about three orders of magnitude lower than that of the bulk. In contrast, the related Li0.375Sr0.4375Ta0.75Zr0.25O3 (LSTZ0.75) perovskite exhibits low GB resistance for reasons yet unknown. Here, we used aberration-corrected scanning transmission electron microscopy and spectroscopy, along with an active learning moment tensor potential, to reveal the atomic scale structure and composition of LSTZ0.75 GBs. Vibrational electron energy loss spectroscopy is applied for the first time to characterize the otherwise unmeasurable Li distribution in GBs of LSTZ0.75. We found that Li depletion, which is a major reason for the low GB ionic conductivity of LLTO, is absent for the GBs of LSTZ0.75. Instead, the low GB resistivity of LSTZ0.75 is attributed to the formation of a unique defective cubic perovskite interfacial structure that contained abundant vacancies. Our study provides insights into the atomic scale mechanisms of low GB resistivity and sheds light on possible paths for designing OSEs with high total ionic conductivity.

cond-mat.mtrl-sci↗

arXiv2022

Ferroelectrics and Photovoltaics in Endohedral Fullerenes-based van der Waals Heterostructures

Using the density functional theory calculations, we studied the ferroelectric, electrical and optical properties of series of bias-controllable endohedral fullerenes (TM@C28, TM= Ti-Ni). The important finding is that Cr@C28 has a large electric dipole moment and an appropriate bandgap (~1.2eV) as building blocks for ferroelectric-photovoltaic materials. By sandwiching Cr@C28 molecules between two van der Waals layers, e.g., graphene or transition metal dichalcogenides, the heterostructures may have exotic ferroelectric and photovoltaic properties with high tunability and performance.

cond-mat.mtrl-sci↗

arXiv2021

Slow Spin Relaxation in Single Endohedral Fullerene Molecules

Well-protected magnetization, tunable quantum states and long coherence time are desired for the use of magnetic molecules in spintronics and quantum information technologies. In this work, endohedral fullerene molecules M@C28 with different transition metal cores were explored through systematic first-principles calculations and spin dynamics analyses. Many of them have stable magnetization, giant magnetic anisotropy energy and bias-tunable structure. In particular, some of them may have coherence time up to several milliseconds for their quantum spin states at high temperature (~10K) after full consideration of spin-vibration couplings. These results suggest that these M@C28 provide a rich pool for the development of single-molecule magnets, magnetic molecular junctions, and molecular qubits.

cond-mat.mtrl-sci↗

arXiv2021

Bias-tunable two-dimensional magnetic and topological materials

Searching for novel two-dimensional (2D) materials is crucial for the development of the next generation technologies such as electronics, optoelectronics, electrochemistry and biomedicine. In this work, we designed a series of 2D materials based on endohedral fullerenes, and revealed that many of them integrate different functions in a single system, such as ferroelectricity with large electric dipole moments, multiple magnetic phases with both strong magnetic anisotropy and high Curie temperature, quantum spin Hall effect or quantum anomalous Hall effect with robust topologically protected edge states. We further proposed a new style topological field-effect transistor. These findings provide a strategy of using fullerenes as building blocks for the synthesis of novel 2D materials which can be easily controlled with a local electric field.

cond-mat.mtrl-sci↗

arXiv2021

Various magnetism of the compressed antiferromagnetic topological insulator EuSn2As2

We report a comprehensive high-pressure study on the antiferromagnetic topological insulator EuSn2As2 up to 21.1 GPa through measurements of synchrotron x-ray diffraction, electrical resistance, magnetic resistance, and Hall transports combined with first-principles calculations. No evident trace of a structural phase transition is detected. The Neel temperatures determined from resistance are increased from 24 to 77 K under pressure, which is resulted from the enhanced magnetic exchange couplings between Eu2+ ions yielded by our first-principles calculations. The negative magnetoresistance of EuSn2As2 persists to higher temperatures accordantly. However, the enhancement of the observed Néel temperatures deviates from the calculations obviously above 10.0 GPa. In addition, the magnitude of the magnetoresistance, the Hall coefficients, and the charge carrier densities show abrupt changes between 6.9 to 10.0 GPa. The abrupt changes probably originate from a pressure induced valence change of Eu ions from a divalent state to a divalent and trivalent mixed state. Our results provide insights into variation of the magnetism of EuSn2As2 and similar antiferromagnetic topological insulators under pressure.

cond-mat.str-el↗

arXiv2021

Two-Dimensional Multifunctional Materials from Endohedral Fullerenes

A new multifunctional 2D material is theoretically predicted based on systematic ab-initio calculations and model simulations for the honeycomb lattice of endohedral fullerene W@C28 molecules. It has structural bistability, ferroelectricity, multiple magnetic phases, and excellent valley characters and can be easily functionalized by the proximity effect with magnetic isolators such as MnTiO3. Furthermore, we may also manipulate the valley Hall and spin transport properties by selectively switch a few W@C28 molecules to the metastable phase. These findings pave a new way in integrate different functions in a single 2D material for technological innovations.

cond-mat.mtrl-sci↗

arXiv2021

Nanodevices engineering and spin transport properties of MnBi2Te4 monolayer

Two-dimensional (2D) magnetic materials are essential for the development of the next-generation spintronic technologies. Recently, layered van der Waals (vdW) compound MnBi2Te4 (MBT) has attracted great interest, and its 2D structure has been reported to host coexisting magnetism and topology. Here, we design several conceptual nanodevices based on MBT monolayer (MBT-ML) and reveal their spin-dependent transport properties by means of the first-principles calculations. The pn-junction diodes and sub-3-nm pin-junction field-effect transistors (FETs) show a strong rectifying effect and a spin filtering effect, with an ideality factor n close to 1 even at a reasonably high temperature. In addition, the pip- and nin-junction FETs give an interesting negative differential resistive (NDR) effect. The gate voltages can tune currents through these FETs in a large range. Furthermore, the MBT-ML has a strong response to light. Our results uncover the multifunctional nature of MBT-ML, pave the road for its applications in diverse next-generation semiconductor spin electric devices.

cond-mat.mtrl-sci↗

arXiv2021

Origins of anomalously low Raman exponents in single-molecule magnets

The Raman exponent of single-molecular magnetic relaxation may take various unexpected values because of rich phonon spectrum and spin-phonon coupling of molecular crystals. We systematically examine the origins of different abnormalities, and clarify misunderstandings in the past, particularly the appropriateness of the fitting procedures for the exponents. We find that exponential laws raised by optical phonons can yield spurious power laws with low exponents. This observation indicates long-standing misunderstandings for origins of low Raman exponents in a large bulk of single-molecule magnets. Resulting from spin-lattice coupling with optical modes, presence of these exponents suggests the importance of the local dynamical environment for the magnetic relaxation in this regime.

cond-mat.mtrl-sci↗

arXiv2020

Metal-organic Frameworks: Possible New Two-Dimensional Magnetic and Topological materials

Finding new two-dimensional (2D) materials with novel quantum properties is highly desirable for technological innovations. In this work, we studied a series of metal-organic frameworks (MOFs) with different metal cores and discovered various attractive properties, such as room-temperature magnetic ordering, strong perpendicular magnetic anisotropy, huge topological band gap (>200meV), and excellent spin-filtering performance. As many MOFs have been successfully synthesized in experiments, our results suggest realistic new 2D functional materials for the design of spintronic nanodevices.

cond-mat.mtrl-sci↗

arXiv2020

Origins of Slow Magnetic Relaxation in Single-Molecule Magnets

Exponential and power law temperature dependences are widely used to fit experimental data of magnetic relaxation time in single molecular magnets. We derived a theory to show how these rules arise from the underling relaxation mechanisms and to clarify the conditions for their occurrence. The theory solves the puzzle of lower-than-expected Orbach barriers found in recent experiments, and elucidates it as a result of the Raman process in disguise. Our results highlight the importance of reducing the rate of direct tunneling between the ground state doublet so as to achieve long time coherence in magnetic molecules. To this end, large spin and small transverse magnetic anisotropy can reduce magnitude of the transition operator, and rigid ligands may weaken the spin-phonon coupling in that they raise the energy of vibrational modes and better screen the acoustic phonons.

cond-mat.mes-hall↗