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Sheng Meng

Publications and source records attributed to Sheng Meng.

At least 73 records · Page 4Linked to original sources
arXiv2024

Sliding ferroelectric memories and synapses

Ferroelectric materials with switchable electric polarization hold great promise for a plethora of emergent applications, such as post-Moore's law nanoelectronics, beyond-Boltzmann transistors, non-volatile memories, and above-bandgap photovoltaic devices. Recent advances have uncovered an exotic sliding ferroelectric mechanism, which endows to design atomically thin ferroelectrics from non-ferroelectric parent monolayers. Although notable progress has been witnessed in understanding its fundamental properties, functional devices based on sliding ferroelectrics, the key touchstone toward applications, remain elusive. Here, we demonstrate the rewritable, non-volatile memory devices at room-temperature utilizing a two-dimensional (2D) sliding ferroelectric semiconductor of rhombohedral-stacked bilayer molybdenum disulfide. The 2D sliding ferroelectric memories (SFeMs) show superior performances with a large memory window of >8V, a high conductance ratio of above 106, a long retention time of >10 years, and a programming endurance greater than 104 cycles. Remarkably, flexible SFeMs are achieved with state-of-the-art performances competitive to their rigid counterparts and maintain their performances post bending over 103 cycles. Furthermore, synapse-specific Hebbian forms of plasticity and image recognition with a high accuracy of 97.81% are demonstrated based on flexible SFeMs. Our work demonstrates the sliding ferroelectric memories and synaptic plasticity on both rigid and flexible substrates, highlighting the great potential of sliding ferroelectrics for emerging technological applications in brain-inspired in-memory computing, edge intelligence and energy-efficient wearable electronics.

cond-mat.mes-hall↗
arXiv2023

Discovery of a Single-Band Mott Insulator in a van der Waals Flat-Band Compound

The Mott insulator provides an excellent foundation for exploring a wide range of strongly correlated physical phenomena, such as high-temperature superconductivity, quantum spin liquid, and colossal magnetoresistance. A Mott insulator with the simplest degree of freedom is an ideal and highly desirable system for studying the fundamental physics of Mottness. In this study, we have unambiguously identified such an anticipated Mott insulator in a van der Waals layered compound Nb3Cl8. In the high-temperature phase, where interlayer coupling is negligible, density functional theory calculations for the monolayer of Nb3Cl8 suggest a half-filled flat band at the Fermi level, whereas angle-resolved photoemission spectroscopy experiments observe a large gap. This observation is perfectly reproduced by dynamical mean-field theory calculations considering strong electron correlations, indicating a correlation-driven Mott insulator state. Since this half-filled band derived from a single 2a1 orbital is isolated from all other bands, the monolayer of Nb3Cl8 is an ideal realization of the celebrated single-band Hubbard model. Upon decreasing the temperature, the bulk system undergoes a phase transition, where structural changes significantly enhance the interlayer coupling. This results in a bonding-antibonding splitting in the Hubbard bands, while the Mott gap remains dominant. Our discovery provides a simple and seminal model system for investigating Mott physics and other emerging correlated states.

cond-mat.str-el↗
arXiv2023

Ab initio self-trapped excitons

We propose a new formalism and an effective computational framework to study self-trapped excitons (STE) in insulators and semiconductors from first principles. Using the many-body Bethe-Salpeter equation in combination with perturbation theory, we are able to obtain the mode- and momentum-resolved exciton-phonon coupling matrix element in a perturbative scheme, and explicitly solve the real space localization of the electron (hole), as well as the lattice distortion. Further, this method allows to compute the STE potential energy surface and evaluate the STE formation energy and Stokes shift. We demonstrate our approach using two-dimensional magnetic semiconductor chromium trihalides and a wide-gap insulator BeO, the latter of which features dark excitons, and make predictions of their Stokes shift and coherent phonon generation which we hope to spark future experiments such as photoluminescence and transient absorption studies.

cond-mat.mtrl-sci↗
arXiv2023

Temperature-Dependent Collective Excitations in a Three-Dimensional Dirac System ZrTe$_{5}$

Zirconium pentatelluride (ZrTe$_{5}$), a system with a Dirac linear band across the Fermi level and anomalous transport features, has attracted considerable research interest for it is predicted to be located at the boundary between strong and weak topological insulators separated by a topological semimetal phase. However, the experimental verification of the topological phase transition and the topological ground state in ZrTe$_{5}$ is full of controversies, mostly due to the difficulty of precisely capturing the small gap evolution with single-particle band structure measurements. Alternatively, the collective excitations of electric charges, known as plasmons, in Dirac systems exhibiting unique behavior, can well reflect the topological nature of the band structure. Here, using reflective high-resolution electron energy loss spectroscopy (HREELS), we investigate the temperature-dependent collective excitations of ZrTe$_{5}$, and discover that the plasmon energy in ZrTe$_{5}$ is proportional to the $1/3$ power of the carrier density $n$, which is a unique feature of plasmons in three-dimensional Dirac systems. Based on this conclusion, the origin of the resistivity anomaly of ZrTe$_{5}$ can be attributed to the temperature-dependent chemical potential shift in extrinsic Dirac semimetals.

cond-mat.str-el↗
arXiv2023

MatChat: A Large Language Model and Application Service Platform for Materials Science

The prediction of chemical synthesis pathways plays a pivotal role in materials science research. Challenges, such as the complexity of synthesis pathways and the lack of comprehensive datasets, currently hinder our ability to predict these chemical processes accurately. However, recent advancements in generative artificial intelligence (GAI), including automated text generation and question-answering systems, coupled with fine-tuning techniques, have facilitated the deployment of large-scale AI models tailored to specific domains. In this study, we harness the power of the LLaMA2-7B model and enhance it through a learning process that incorporates 13,878 pieces of structured material knowledge data. This specialized AI model, named MatChat, focuses on predicting inorganic material synthesis pathways. MatChat exhibits remarkable proficiency in generating and reasoning with knowledge in materials science. Although MatChat requires further refinement to meet the diverse material design needs, this research undeniably highlights its impressive reasoning capabilities and innovative potential in the field of materials science. MatChat is now accessible online and open for use, with both the model and its application framework available as open source. This study establishes a robust foundation for collaborative innovation in the integration of generative AI in materials science.

cond-mat.mtrl-sci↗
arXiv2023

Weberite Na$_2$MM'F$_7$ (M,M'=Redox-Active Metal) as Promising Fluoride-Based Sodium-Ion Battery Cathodes

Sodium-ion batteries are a viable alternative to lithium-ion technology due to the plentiful sodium resources. However, certain commercialization challenges, such as low specific energies and poor cycling performance of current Na-ion cathodes, still need to be addressed. To overcome these hurdles, this study explored the potential of a novel class of fluoride-based materials, specifically trigonal-type Na$_2$MM'F$_7$ (M and M' are redox-active metals) belonging to the weberite-type compounds, as promising candidates for Na-ion cathodes. Through a comprehensive assessment utilizing ab initio calculations, twelve prospective compounds were identified, demonstrating high thermodynamic stability, large gravimetric capacities (>170 mAh/g), and low net Na-ion migration barriers (<600 meV). Significantly, ten out of the twelve screened compounds exhibit high specific energies exceeding 580 Wh/kg (approximately equals to the specific energy of LiFePO$_4$), indicating their exceptional electrochemical performance. This study will pave the way for further advancements in fluoride-based electrode materials.

physics.chem-ph↗
arXiv2023

Femtosecond electron diffraction reveals local disorder and local anharmonicity in thermoelectric SnSe

The microscopic arrangement of atoms and molecules is the determining factor in how materials behave and perform. Beyond the long-range periodicity, the local disorder with local structures deviating from the average lattice structure plays a vital role in determining the physical properties of the phonon, electron and spin subsystems in crystalline functional materials. Experimentally characterizing the 3D atomic configuration of such local disorder and correlating it with the advanced functions remain a big challenge. Time-domain evolution of the local disorder, either static or dynamical, is lost due to the characterization at equilibrium state with conventional probing techniques. With the combination of femtosecond electron diffraction, structure factor calculation and TDDFT-MD simulation, we exclusively identify the static local disorder and the local anharmonicity of it in thermoelectric SnSe. The ultrafast structural dynamics in time domain reveal a dominant static off-symmetry displacement of Sn (~0.4 angstrom) and the anharmonicity of this local disorder induces an ultrafast atomic displacement within 100 fs after photoexcitation. The microscopic picture of the local anharmonicity indicates a direct and first signature of the THz Einstein oscillators in real space. Therefore, a glass-like thermal transport channel with the local disorder, the Einstein oscillators and the local anharmonicity, updates the fundamental insight into the long-debated ultralow thermal conductivity in SnSe. The local disorder over one to a few unit cells is pervasive and indispensable in thermoelectric materials, multiferroic materials and correlated electronic materials. Our method of revealing the 3D local disorder and the local correlated interactions by ultrafast structural dynamics will inspire broad interest in construction of the structure-property relationship in material science.

cond-mat.mtrl-sci↗
arXiv2023

Rigidity of rationally connected smooth projective varieties from dynamical viewpoints

Let $X$ be a rationally connected smooth projective variety of dimension $n$. We show that $X$ is a toric variety if and only if $X$ admits an int-amplified endomorphism with totally invariant ramification divisor. We also show that $X\cong (\mathbb{P}^1)^{\times n}$ if and only if $X$ admits a surjective endomorphism $f$ such that the eigenvalues of $f^*|_{\text{N}^1(X)}$ (without counting multiplicities) are $n$ distinct real numbers greater than $1$.

math.AG↗
arXiv2023

Structures theorems and applications of non-isomorphic surjective endomorphisms of smooth projective threefolds

Let $f:X\to X$ be a non-isomorphic (i.e., $\text{deg } f>1$) surjective endomorphism of a smooth projective threefold $X$. We prove that any birational minimal model program becomes $f$-equivariant after iteration, provided that $f$ is $δ$-primitive. Here $δ$-primitive means that there is no $f$-equivariant (after iteration) dominant rational map $π:X\dashrightarrow Y$ to a positive lower-dimensional projective variety $Y$ such that the first dynamical degree remains unchanged. This way, we further determine the building blocks of $f$. As the first application, we prove the Kawaguchi-Silverman conjecture for every non-isomorphic surjective endomorphism of a smooth projective threefold. As the second application, we reduce the Zariski dense orbit conjecture for $f$ to a terminal threefold with only $f$-equivariant Fano contractions.

math.AG↗
arXiv2023

Energy landscape and phase competition of CsV3Sb5-, CsV6Sb6-, and TbMn6Sn6-type Kagome materials

Finding viable Kagome lattices is vital for materializing novel phenomena in quantum materials. In this work, we performed element substitutions on CsV3Sb5 with space group P6/mmm, TbMn6Sn6 with space group P6/mmm, and CsV6Sb6 with space group R-3 m, respectively, as the parent compounds. A total of 4158 materials were obtained through element substitutions, and these materials were then calculated via density function theory in high-throughput mode. Afterward, 48 materials were identified with high thermodynamic stability (E_hull<5meV/atom). Furthermore, we compared the thermodynamic stability of three different phases with the same elemental composition and predicted some competing phases that may arise during material synthesis. Finally, by calculating the electronic structures of these materials, we attempted to identify patterns in the electronic structure variations as the elements change. This work provides guidance for discovering promising AM3X5/AM6X6 Kagome materials from a vast phase space.

cond-mat.supr-con↗
arXiv2023

Jordan property for automorphism groups of compact spaces in Fujiki's class $C$

Let $X$ be a compact complex space in Fujiki's Class $C$. We show that the group $Aut(X)$ of all biholomorphic automorphisms of $X$ has the Jordan property: there is a (Jordan) constant $J = J(X)$ such that any finite subgroup $G\le Aut(X)$ has an abelian subgroup $H\le G$ with the index $[G:H]\le J$. This extends, with a quite different method, the result of Prokhorov and Shramov for Moishezon threefolds.

math.AG↗
arXiv2023

Kawaguchi-Silverman conjecture for certain surjective endomorphisms

We prove the Kawaguchi-Silverman conjecture (KSC), about the equality of arithmetic degree and dynamical degree, for every surjective endomorphism of any (possibly singular) projective surface. In high dimensions, we show that KSC holds for every surjective endomorphism of any $\mathbb{Q}$-factorial Kawamata log terminal projective variety admitting an int-amplified endomorphism, provided that KSC holds for any surjective endomorphism with the ramification divisor being totally invariant and irreducible. In particular, we show that KSC holds for every surjective endomorphism of any rationally connected smooth projective threefold admitting an int-amplified endomorphism. The main ingredients are the equivariant minimal model program, the effectiveness of the anti-canonical divisor and a characterization of toric pairs.

math.AG↗
arXiv2023

Probing Phonon dynamics and Electron-Phonon Coupling by High Harmonic Generation in Solids

Acting as a highly nonlinear response to the strong laser field, high harmonic generation (HHG) naturally contains the fingerprints of atomic and electronic properties of materials. Electronic properties of a solid such as band structure and topology can thus be probed, while the phonon dynamics during HHG are often neglected. Here we show that by exploiting the effects of phonon deformation on HHG, the intrinsic phonon information can be deciphered and direct probing of band- and mode-resolved electron-phonon couplings (EPC) of photoexcited materials is possible. Considering HHG spectroscopy can be vacuum free and unrestricted to electron occupation, this work suggests HHG is promising for all-optical characterization of EPC in solids, especially for gapped quantum states or materials under high pressure.

cond-mat.mtrl-sci↗
arXiv2023

Electron-phonon interactions in LuH$_2$, LuH$_3$, and LuN

This paper presents the calculation results of electron-phonon interactions within the LuH$_2$, LuH$_3$, and LuN systems under 0 GPa and 10 GPa via density functional theory at the GGA-PBE level. The purpose of this work is to provide useful data that may be of the interests of the superconducting community as it was reported that the Lu-H-N compound is likely to be a room-temperature superconductor under 1 GPa [Nature, 615, 244 (2023)].

cond-mat.supr-con↗
arXiv2023

Lu-H-N phase diagram from first-principles calculations

Using a comprehensive structure search and high-throughput first-principles calculations of 1483 compounds, this study presents the phase diagram of Lu-H-N. The formation energy landscape of Lu-H-N was derived and utilized to assess the thermodynamic stability of compounds. Results indicate that there are no stable Lu-H-N ternary structures in this system, but metastable ternary structures, such as Lu20H2N17 (C2/m), Lu2H2N (P3-m1), were observed with small Ehull (< 100 meV/atom). Moreover, applying hydrostatic pressure up to 10 GPa causes the energy convex hull of the Lu-H-N to shift its shape and stabilizes binary phases such as LuN9 and Lu10H21. Additionally, interstitial empty sites in LuH2 were noted, which may explain the formation of Lu10H21 and LuH3-xNy. To provide a basis for comparison, X-ray diffraction patterns and electronic structures of some compounds are also presented.

cond-mat.supr-con↗
arXiv2023

Predicting structure-dependent Hubbard U parameters for assessing hybrid functional-level exchange via machine learning

DFT+U is a widely used treatment in the density functional theory (DFT) to deal with correlated materials that contain open-shell elements, whereby the quantitative and sometimes even qualitative failures of local and semilocal approximations can be corrected without much computational overhead. However, finding appropriate U parameters for a given system is non-trivial and usually requires computationally intensive and cumbersome first-principles calculations. In this Letter, we address this issue by building a machine learning (ML) model to predict material-specific U parameters only from the structural information. An ML model is trained for the Mn-O chemical system by calibrating their DFT+U electronic structures with the hybrid functional results of more than Mn-O 3000 structures. The model allows us to determine a reliable U value (MAE=0.128 eV, R2=0.97) for any given structure at nearly no computational cost; yet the obtained U value is as good as that obtained from the conventional first-principles methods. Further analysis reveals that the U value is primarily determined by the local chemical structure, especially the bond lengths, and this property is well captured by the ML model developed in this work. This concept of the ML U model is universally applicable and can considerably ease the usage of the DFT+U method by providing structure-specific, readily accessible U values.

physics.comp-ph↗
arXiv2023

Non-density of points of small arithmetic degrees

Given a surjective endomorphism $f: X \to X$ on a projective variety over a number field, one can define the arithmetic degree $α_f(x)$ of $f$ at a point $x$ in $X$. The Kawaguchi - Silverman Conjecture (KSC) predicts that any forward $f$-orbit of a point $x$ in $X$ at which the arithmetic degree $α_f(x)$ is strictly smaller than the first dynamical degree $δ_f$ of $f$ is not Zariski dense. We extend the KSC to sAND (= small Arithmetic Non-Density) Conjecture that the locus $Z_f(d)$ of all points of small arithmetic degree is not Zariski dense, and verify this sAND Conjecture for endomorphisms on projective varieties including surfaces, HyperKähler varieties, abelian varieties, Mori dream spaces, simply connected smooth varieties admitting int-amplified endomorphisms, smooth threefolds admitting int-amplified endomorphisms, and some fibre spaces. We show the equivalence of the sAND Conjecture and another conjecture on the periodic subvarieties of small dynamical degree; we also show the close relations between the sAND Conjecture and the Uniform Boundedness Conjecture of Morton and Silverman on endomorphisms of projective spaces and another long standing conjecture on Uniform Boundedness of torsion points in abelian varieties.

math.AG↗