arXiv subjects

Yuan Ping Feng

Publications and source records attributed to Yuan Ping Feng.

At least 19 recordsLinked to original sources

arXiv2025

Lifting spin degeneracy in rhombohedral trilayer graphene for high magnetoresistance applications

Many exotic properties in rhombohedral (or ABC-stacked) multilayer graphene have recently been reported experimentally. In this Letter, we first reveal the underlying mechanism of spin degeneracy lifting in rhombohedral trilayer graphene. Then, we propose a design concept for all-rhombohedral graphene-based magnetic tunnel junctions (MTJs) by utilizing pristine, back-gated, and top-gated ABC-stacked trilayer graphene, which exhibit semimetallic (conducting), semiconducting (insulating), and half-metallic (ferromagnetic) behavior, respectively. This enables the realization of an "all-in-one" magnetic tunnel junction based entirely on trilayer graphene. This design enables voltage-controlled spintronics (lower power than conventional MTJs) with perfect interfacial matching and sub-nm thickness uniformity across 4-inch wafers. Using first-principles calculations and the non-equilibrium Greens function, we comprehensively study electronic structures and transport properties of these all-graphene MTJs. Furthermore, we demonstrate that their characteristics can be tuned via a perpendicular electric field and electron doping. Our findings offer a new concept for the development of fully graphene-based spintronic devices utilizing the three distinct electronic phases of rhombohedral trilayer graphene.

cond-mat.mtrl-sci↗

arXiv2024

1D flat bands in phosphorene nanoribbons with pentagonal nature

Materials with flat bands can serve as a promising platform to investigate strongly interacting phenomena. However, experimental realization of ideal flat bands is mostly limited to artificial lattices or moiré systems. Here we report a general way to construct one-dimensional (1D) flat bands in phosphorene nanoribbons (PNRs) with pentagonal nature: penta-hexa-PNRs and penta-dodeca-PNRs, wherein the corresponding 1D flat bands are directly verified by using angle-resolved photoemission spectroscopy. We confirm that the observed 1D flat bands originate from the electronic 1D zigzag and Lieb lattices, respectively, as revealed by the combination of bond-resolved scanning tunneling microscopy, scanning tunneling spectroscopy, tight-binding models, and first-principles calculations. Our study demonstrates a general way to construct 1D flat bands in 1D solid materials system, which provides a robust platform to explore strongly interacting phases of matter.

cond-mat.mtrl-sci↗

arXiv2023

Van der Waals Spin-Orbit Torque Antiferromagnetic Memory

The technique of conventional ferromagnet/heavy-metal spin-orbit torque (SOT) offers significant potential for enhancing the efficiency of magnetic memories. However, it faces fundamental physical limitations, including hunting effects from the metallic layer, broken symmetry for enabling antidamping switching, spin scattering caused by interfacial defects, and sensitivity to stray magnetic fields. To address these issues, we here propose a van der Waals (vdW) field-free SOT antiferromagnetic memory using a vdW bilayer LaBr$_2$ (an antiferromagnet with perpendicular magnetic anisotropy) and a monolayer T$_d$ phase WTe$_2$ (a Weyl semimetal with broken inversion symmetry). By systematically employing density functional theory in conjunction with non-equilibrium Green's function methods and macrospin simulations, we demonstrate that the proposed vdW SOT devices exhibit remarkably low critical current density approximately 10 MA/cm$^2$ and rapid field-free magnetization switching in 250 ps. This facilitates excellent write performance with extremely low energy consumption. Furthermore, the device shows a significantly low read error rate, as evidenced by a high tunnel magnetoresistance ratio of up to 4250%. The superior write and read performance originates from the unique strong on-site (insulating phase) and off-site (magnetic phase) Coulomb interactions in electride LaBr$_2$, a large non-zero z-component polarization in WTe$_2$, and the proximity effect between them.

cond-mat.mtrl-sci↗

arXiv2023

Coexistence of surface oxygen vacancy and interface conducting states in LaAlO3/SrTiO3 revealed by low-angle resonant soft X-ray scattering

Oxide heterostructures have shown rich physics phenomena, particularly in the conjunction of exotic insulator-metal transition (IMT) at the interface between polar insulator LaAlO3 and non-polar insulator SrTiO3 (LaAlO3/SrTiO3). Polarization catastrophe model has suggested an electronic reconstruction yielding to metallicity at both the interface and surface. Another scenario is the occurrence of surface oxygen vacancy at LaAlO3 (surface-Ov), which has predicted surface-to-interface charge transfer yielding metallic interface but insulating surface. To clarify the origin of IMT, one should probe surface-Ov and the associated electronic structures at both the surface and the buried interface simultaneously. Here, using low-angle resonant soft X-ray scattering (LA-RSXS) supported with first-principles calculations, we reveal the co-existence of the surface-Ov state and the interface conducting state only in conducting LaAlO3/SrTiO3 (001) films. Interestingly, both the surface-Ov state and the interface conducting state are absent for the insulating film. As a function of Ov density, while the surface-Ov state is responsible for the IMT, the spatial charge distribution is found responsible for a transition from two-dimensional-like to three-dimensional-like conducting accompanied by spectral weight transfer, revealing the importance of electronic correlation. Our results show the importance of surface-Ov in determining interface properties and provides a new strategy in utilizing LA-RSXS to directly probe the surface and buried interface electronic properties in complex oxide heterostructures.

cond-mat.mtrl-sci↗

arXiv2023

Intertwining of magnetism and charge ordering in kagome FeGe

Recent experiments report a charge density wave (CDW) in the antiferromagnet FeGe, but the nature of the charge ordering and the associated structural distortion remains elusive. We discuss the structural and electronic properties of FeGe. Our proposed ground state phase accurately captures atomic topographies acquired by scanning tunneling microscopy. We show that the 2$\times$2$\times$1 CDW likely results from the Fermi surface nesting of hexagonal-prism-shaped kagome states. FeGe is found to exhibit distortions in the positions of the Ge atoms instead of the Fe atoms in the kagome layers. Using in-depth first-principles calculations and analytical modeling, we demonstrate that this unconventional distortion is driven by the intertwining of magnetic exchange coupling and CDW interactions in this kagome material. Movement of Ge atoms from their pristine positions also enhances the magnetic moment of the Fe kagome layers. Our study indicates that magnetic kagome lattices provide a material candidate for exploring the effects of strong electronic correlations on the ground state and their implications for transport, magnetic, and optical responses in materials.

cond-mat.mtrl-sci↗

arXiv2022

Experimental Evidence of t2g Electron-Gas Rashba Interaction Induced by Asymmetric Orbital Hybridization

We report the control of Rashba spin-orbit interaction by tuning asymmetric hybridization between Ti-orbitals at the LaAlO3/SrTiO3 interface. This asymmetric orbital hybridization is modulated by introducing a LaFeO3 layer between LaAlO3 and SrTiO3, which alters the Ti-O lattice polarization and traps interfacial charge carriers, resulting in a large Rashba spin-orbit effect at the interface in the absence of an external bias. This observation is verified through high-resolution electron microscopy, magneto-transport and first-principles calculations. Our results open hitherto unexplored avenues of controlling Rashba interaction to design next-generation spin-orbitronics.

cond-mat.mtrl-sci↗

arXiv2022

Emergent Topological Superconductor by Charge Density Wave Transition

Many-body instabilities and topological physics are two attractive topics in condensed matter physics. It is intriguing to explore the interplay between these phenomena in a single quantum material. Here, using the prototypical charge density wave (CDW) material monolayer 1H-NbSe$_2$ as an example, we show how momentum-dependent electron-phonon coupling drives the CDW transition from $3\times3$ to $2\times2$ phase under electron doping. More interestingly, we find the coexistence of superconductivity and nontrivial topology in one of the two $2\times2$ CDW phases, the latter of which is identified by the nonzero Z$_2$ invariant with ideal Dirac cone edge states near the Fermi level. A similar CDW transition-induced topological superconductor has also been confirmed in monolayer 1H-TaSe$_2$. Our findings not only reveal a unique and general method to introduce nontrivial topology by CDW transition, but also provide an ideal platform to modulate different quantum orders by electron doping, thus stimulating experimental interest.

cond-mat.supr-con↗

arXiv2022

Decisive role of electron-phonon coupling for phonon and electron instabilities in transition metal dichalcogenides

The origin of the charge density wave (CDW) in transition metal dichalcognides has been in hot debate and no conclusive agreement has been reached. Here, we propose an ab-initio framework for an accurate description of both Fermi surface nesting and electron-phonon coupling (EPC) and systematically investigate their roles in the formation of CDW. Using monolayer 1H-NbSe$_2$ and 1T-VTe$_2$ as representative examples, we show that it is the momentum-dependent EPC softens the phonon frequencies, which become imaginary (phonon instabilities) at CDW vectors (indicating CDW formation). Besides, the distribution of the CDW gap opening (electron instabilities) can be correctly predicted only if EPC is included in the mean-field model. These results emphasize the decisive role of EPC in the CDW formation. Our analytical process is general and can be applied to other CDW systems.

cond-mat.mtrl-sci↗

arXiv2022

Magnetic Transition in Monolayer VSe2 via Interface Hybridization

Magnetism in monolayer (ML) VSe2 has attracted broad interest in spintronics while existing reports have not reached consensus. Using element-specific X-ray magnetic circular dichroism, a magnetic transition in ML VSe2 has been demonstrated at the contamination-free interface between Co and VSe2. Via interfacial hybridization with Co atomic overlayer, a magnetic moment of about 0.4 uB per V atom in ML VSe2 is revealed, approaching values predicted by previous theoretical calculations. Promotion of the ferromagnetism in ML VSe2 is accompanied by its antiferromagnetic coupling to Co and a reduction in the spin moment of Co. In comparison to the absence of this interface-induced ferromagnetism at the Fe/MLMoSe2 interface, these findings at the Co/ML-VSe2 interface provide clear proof that the ML VSe2, initially with magnetic disorder, is on the verge of magnetic transition.

cond-mat.mtrl-sci↗

arXiv2022

Ultrathin quantum light source enabled by a nonlinear van der Waals crystal with vanishing interlayer-electronic-coupling

Interlayer electronic coupling in two-dimensional (2D) materials enables tunable and emergent properties by stacking engineering. However, it also brings significant evolution of electronic structures and attenuation of excitonic effects in 2D semiconductors as exemplified by quickly degrading excitonic photoluminescence and optical nonlinearities in transition metal dichalcogenides when monolayers are stacked into van der Waals structures. Here we report a novel van der Waals crystal, niobium oxide dichloride, featuring a vanishing interlayer electronic coupling and scalable second harmonic generation intensity of up to three orders higher than that of exciton-resonant monolayer WS2. Importantly, the strong second-order nonlinearity enables correlated parametric photon pair generation, via a spontaneous parametric down-conversion (SPDC) process, in flakes as thin as ~46 nm. To our knowledge, this is the first SPDC source unambiguously demonstrated in 2D layered materials, and the thinnest SPDC source ever reported. Our work opens an avenue towards developing van der Waals material-based ultracompact on-chip SPDC sources, and high-performance photon modulators in both classical and quantum optical technologies.

physics.optics↗

arXiv2021

Epitaxial Growth of Ultraflat Bismuthene with Large Topological Band Inversion Enabled by Substrate-Orbital-Filtering Effect

Quantum spin Hall (QSH) systems hold promises of low-power-consuming spintronic devices, yet their practical applications are extremely impeded by the small energy gaps. Fabricating QSH materials with large gaps, especially under the guidance of design principles, is essential for both scientific research and practical applications. Here, we demonstrate that large on-site atomic spin-orbit coupling can be directly exploited via the intriguing substrate-orbital-filtering effect to generate large-gap QSH systems and experimentally realized on the epitaxially synthesized ultraflat bismuthene on Ag(111). Theoretical calculations reveal that the underlying substrate selectively filters Bi pz orbitals away from the Fermi level, leading pxy orbitals with nonzero magnetic quantum numbers, resulting in large topological gap of ~1 eV at the K point. The corresponding topological edge states are identified through scanning tunneling spectroscopy combined with density functional theory calculations. Our findings provide general strategies to design large-gap QSH systems and further explore their topology-related physics.

cond-mat.mes-hall↗

arXiv2021

High-throughput Discovery and Intelligent Design of 2D Functional Materials for Various Applications

Novel technologies and new materials are in high demand for future energy-efficient electronic devices to overcome the fundamental limitations of miniaturization of current silicon-based devices. Two-dimensional (2D) materials show promising applications in the next generation devices because they can be tailored on the specific property that a technology is based on, and be compatible with other technologies, such as the silicon-based (opto)electronics. Although the number of experimentally discovered 2D materials is growing, the speed is very slow and only a few dozen 2D materials have been synthesized or exfoliated since the discovery of graphene. Recently, a novel computational technique, dubbed "high-throughput computational materials design", becomes a burgeoning area of materials science, which is the combination of the quantum-mechanical theory, materials genome, and database construction with intelligent data mining. This new and powerful tool can greatly accelerate the discovery, design and application of 2D materials by creating database containing a large amount of 2D materials with calculated fundamental properties, and then intelligently mining (via high-throughput automation or machine learning) the database in the search of 2D materials with the desired properties for particular applications, such as energy conversion, electronics, spintronics, and optoelectronics.

physics.comp-ph↗

arXiv2021

Developing Dipole-scheme Heterojunction Photocatalysts

The high recombination rate of photogenerated carriers is the bottleneck of photocatalysis, severely limiting the photocatalytic efficiency. Here, we develop a dipole-scheme (D-scheme for short) photocatalytic model and materials realization. The D-scheme heterojunction not only can effectively separate electrons and holes by a large polarization field, but also boosts photocatalytic redox reactions with large driving photovoltages and without any carrier loss. By means of first-principles and GW calculations, we propose a D-scheme heterojunction prototype with two real polar materials, PtSeTe/LiGaS2. This D-scheme photocatalyst exhibits a high capability of the photogenerated carrier separation and near-infrared light absorption. Moreover, our calculations of the Gibbs free energy imply a high ability of the hydrogen and oxygen evolution reaction by a large driving force. The proposed D-scheme photocatalytic model is generalized and paves a valuable route of significantly improving the photocatalytic efficiency.

cond-mat.mtrl-sci↗

arXiv2021

Structure dependent and strain tunable magnetic ordering in ultrathin chromium telluride

Two-dimensional (2D) chromium tellurides have attracted considerable research interest for their high Curie temperatures. Their magnetic properties have been found diverse in various experiments, the understanding of which however remains limited. In this work, we report that the magnetic ordering of ultrathin chromium tellurides is structure dependent and can be tuned by external strain. Based on first-principles calculations and Monte Carlo simulations, we show long-range stable magnetism with high and low Curie temperature, and short-range magnetism in 2D Cr5Te8, CrTe2, and Cr2Te3 layers, respectively. We further find that ferromagnetic-to-antiferromagnetic transition can be realized by 2% compressive strain for CrTe2 and 2% tensile strain for Cr2Te3, and their magnetic easy axis is tuned from out-of-plane to in-plane by the medium tensile and compressive strain. This strain dependent magnetic coupling is found to be related to Cr-Cr direct exchange and the change of magnetic anisotropy is understood by the atom and orbital resolved magnetic anisotropy energy and second order perturbation theory. Our results reveal the important roles of the structure and strain in determining the magnetic ordering in 2D chromium telluride, shedding light on understanding of the diverse magnetic properties observed in experiments.

cond-mat.mtrl-sci↗

arXiv2021

Precise Layer-Dependent Electronic Structure of MBE-Grown PtSe$_2$

Two-dimensional (2D) platinum diselenide (PtSe$_2$) has received significant attention for 2D transistor applications due to its high mobility. Here, using molecular beam epitaxy, we investigate the growth of 2D PtSe$_2$ on highly oriented pyrolytic graphite (HOPG) and unveil their electronic properties via X-ray photoelectron spectroscopy, Raman spectra, and scanning tunnelling microscopy/spectroscopy as well as density functional theory (DFT) calculations. PtSe$_2$ adopts a layer-by-layer growth mode on HOPG and shows a decreasing band gap with increasing layer number. For the layer numbers from one to four, PtSe$_2$ has band gaps of $2.0 \pm 0.1$, $1.1 \pm 0.1$, $0.6 \pm 0.1$ and $0.20 \pm 0.1$ eV, respectively, and becomes semimetal from the fifth layer. DFT calculations reproduce the layer-dependent evolution of both the band gap and band edges, suggest an indirect band-gap structure, and elucidate the underlying physics at the atomic level.

cond-mat.mtrl-sci↗

arXiv2021

Controllable phase transitions between multiple charge density waves in monolayer 1T-VSe$_2$ via doping and strain engineering

Two-dimensional (2D) materials are known to possess emergent properties that are not found in their bulk counterparts. Recent experiments have shown a $\sqrt7 \times \sqrt3$ charge density wave (CDW) in monolayer 1T-VSe$_2$, in contrast to the $4\times 4\times 3$ phase in bulk. Here, via first-principles calculations, we show that multiple CDW phases compete in monolayer VSe$_2$, the ground state of which can be tuned by charge doping and in-plane biaxial strain. With doping, the $\sqrt7 \times \sqrt3$ CDW of the pristine VSe$_2$ transfers to a $3 \times \sqrt3$ and $4\times 4$ phase, the latter of which is a projection of the bulk counterpart, at critical doping concentrations of around 0.2 holes per formula unit and 0.25 electrons per formula unit, respectively. The $4\times 4$ CDW phase can also be stabilized under compressive strain. Although electron-phonon coupling is prevailing in the CDW formation, we show that Fermi surface nesting is a good starting point to explain most of these transitions in monolayer 1T-VSe$_2$. These results make VSe$_2$ an appealing material for electronic devices based on controllable CDW phase transitions.

cond-mat.mtrl-sci↗

arXiv2021

Two-dimensional topological superconductivity candidate in van der Waals layered material

Two-dimensional (2D) topological superconductors are highly desired because they not only offer opportunities for exploring novel exotic quantum physics, but also possesses potential applications in quantum computation. However, there are few reports on 2D superconductors, let alone topological superconductors. Here, we find a 2D monolayer W$_2$N$_3$, which can be exfoliated from its real van der Waals bulk material with much lower exfoliation energy than MoS$_2$, to be a topological metal with exotic topological states at different energy level. Due to the Van Hove singularities, the density of states near Fermi level are high, making the monolayer a compensate metal. Moreover, the monolayer W$_2$N$_3$ is unveiled to be a superconductor with the superconducting transition temperature Tc $\sim$ 22 K and a superconducting gap of about 5 meV based on the anisotropic Migdal-Eliashberg formalism, arising from the strong electron-phonon coupling around the $Γ$ point. Because of the strong electron and lattice coupling, the monolayer displays a non-Fermi liquid behavior in its normal states at temperatures lower than 80 K, where the specific heat exhibit T$^3$ behavior and the Wiedemann-Franz law dramatically violates. Our findings not only provide the platform to study the emergent phenomena in 2D topological superconductors, but also open a door to discover more 2D high-temperature topological superconductors in van der Waals materials.

cond-mat.supr-con↗

arXiv2021

Phase diagram and superlattice structures of monolayer phosphorus carbide (P$_x$C$_{1-x}$)

Phase stability and properties of two-dimensional phosphorus carbide, P$_x$C$_{1-x}$, are investigated using the first-principles method in combination with cluster expansion and Monte Carlo simulation. Monolayer P$_x$C$_{1-x}$ is found to be a phase separating system which indicates difficulty in fabricating monolayer P$_x$C$_{1-x}$ or crystalline P$_x$C$_{1-x}$ thin films. Nevertheless, a bottom-up design approach is used to determine the stable structures of P$_x$C$_{1-x}$ of various compositions which turn out to be superlattices consisting of alternating carbon and phosphorus nanoribbons along the armchair direction. Results of first-principles calculations indicate that once these structures are produced, they are mechanically and thermodynamically stable. All the ordered structures are predicted to be semiconductors, with band gap ranging from 0.2 to 1.2 eV. In addition, the monolayer P$_x$C$_{1-x}$ are predicted to have high carrier mobility, and high optical absorption in the ultraviolet region which shows a red-shift as the P:C ratio increases. These properties make 2D P$_x$C$_{1-x}$ promising materials for applications in electronics and optoelectronics.

cond-mat.mtrl-sci↗