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Mengli Hu

Publications and source records attributed to Mengli Hu.

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Sign control of photocurrents by spin-group-symmetry breaking in altermagnetic insulators

Controlling physical responses through symmetry breaking is a central paradigm in quantum materials, enabling novel functionalities. Here we determine the effects of spin-group-symmetry breaking on nonlinear optical responses of collinear altermagnetic insulators. Using shear strain as an example, we show that the direction of symmetry-breaking induced components of charge and spin photocurrents are locked to the sign of the strain. In the absence of spin-orbit coupling, this effect is intuitively captured by the spin-gap asymmetry--an imbalance between spin-up and spin-down direct band gaps which couples trilinearly with the N\'eel order and the strain. We demonstrate this mechanism with density functional theory calculations on the recently proposed altermagnet CuWP$_2$S$_6$. Having symmetry-guided control of both charge and spin photocurrents allows, vice versa, to reveal and investigate altermagnetism in insulating materials by exploration of their optical responses.

cond-mat.mes-hall

Spin Group Symmetry Criteria For Unconventional Magnetism

Unconventional magnetism has typically been classified into two fundamental classes: even-parity magnets (EPMs) and odd-parity magnets (OPMs). These two classes exhibit identical and opposite spin splittings, respectively, under momentum inversion, while both maintain symmetry-compensated magnetization. In this Letter, we present a unified spin space group-based framework that establishes comprehensive symmetry criteria for both classes. Our framework not only yields a complete classification of EPMs and OPMs but also uncovers a wealth of new symmetry-driven mechanisms for them. Specifically, we classify both classes into three types based on their spin textures: collinear (type-I), coplanar (type-II), and noncoplanar (type-III), and we demonstrate that both classes can be realized across collinear, coplanar, and noncoplanar magnetic orders. We identify eight distinct symmetry-driven mechanisms for OPMs and seven for EPMs, among which some paradigms of unconventional magnetism, for instance, altermagnets naturally emerge as one specific mechanism of EPMs. Using these established criteria, we identify numerous candidate materials from the Magndata database, realizing some new symmetry mechanisms for OPMs and EPMs. Our work establishes a foundational symmetry framework for understanding, predicting, and designing unconventional magnetic materials.

cond-mat.str-el

Non-collinear Altermagnetic Phases in the Mott Insulator NiS$_2$

Altermagnets (A$\ell$Ms) constitute a novel family of magnetic materials characterized by the absence of net magnetization and the presence of spin-polarized band structures. Whereas A$\ell$M phases were initially proposed in collinear structures, the recently discovered noncollinear chiral A$\ell$Ms stand out for their distinct hedgehog spin texture and multifunctionality in spintronics. In this work, we deepen the characterization of these systems by constructing a Landau theory for noncollinear achiral A$\ell$Ms. Furthermore, we demonstrate that the achiral symmetry of the crystal is reflected in the spin texture in reciprocal space, which presents only spatial-even multipoles. These multipoles, distinguished from those in collinear A$\ell$Ms via the high-order secondary order parameters, can couple to many phenomena such as the spin Hall effect and piezomagnetic effect. To exemplify our theory, we study the noncollinear achiral magnet NiS$_2$ within the framework of altermagnetism, showcasing both spin Hall and piezomagnetic effects in a prototypical correlated Mott insulator that provides an ideal platform to explore the interplay between strong electronic correlations, crystal symmetry, and altermagnetic spin textures. Interestingly, altermagnetism emerges in two magnetic ordered phases of NiS$_2$ upon lowering the temperature. The non-collinearity strengthens the robustness of A$\ell$M order, as the anti-ferromagnetism induced by the strong correlations will not impose effective time-reversal symmetry as in the collinear case. Our results suggest non-collinear achiral A$\ell$Ms as a promising platform for spintronics applications due to the potential to achieve various spin textures with different magnetic orders.

cond-mat.mtrl-sci

Extreme Strain Controlled Correlated Metal-Insulator Transition in the Altermagnet CrSb

Correlated flat bands and altermagnetism are two important directions in quantum materials, centred respectively on interaction-dominated phases and symmetry-enforced spin-textured states, yet both derive from lattice symmetry and orbital hybridization. This common origin implies that extreme crystal distortion, by narrowing bandwidths, enhancing correlations and reshaping the symmetries of altermagnetic spin splittings, could unify flat-band and altermagnetic physics in a single material; in practice, however, achieving such large distortions in a crystalline altermagnet is a formidable challenge. Here we combine a dedicated strain device with a tailored single-crystal mounting scheme to impose a highly tensile strain gradient in bulk CrSb, a prototypical altermagnet, creating a near-surface layer in which the in-plane lattice is strongly distorted relative to the weakly strained bulk, while the average bulk distortion remains small. Angle-resolved photoemission reveals a reversible regime at moderate strain, where a deeper flat-band feature, attributed to a strain-gradient-driven suppression of Cr-Sb hybridization, coexists with a correlation-enhanced Cr 3d flat band, and an irreversible regime at larger strain where partial bond decoupling drives a predominantly insulating spectral response. Density-functional calculations show that an orbital-selective altermagnetic spin texture persists across this correlated regime despite strong bandwidth renormalisation. These results define a strain-symmetry-correlation map for CrSb and establish extreme tensile strain as a route to co-engineer flat-band tendencies and spin-textured, zero-net-moment correlated states in altermagnets, pointing toward strain-adaptive, spin-selective Mott filtering and related device concepts.

cond-mat.str-el

Generating ferro-spinetic polarizations in altermagnetic insulators

Altermagnets are a novel class of fully spin-compensated magnetic materials that nevertheless have spin-split electronic bands, offering novel perspectives for spintronics applications. Based on a rigorous analysis of altermagnetic many-body models and their symmetry we establish the important role of two fundamental types of polarizations in altermagnetic insulators: the charge and the spinetic one, where the latter corresponds to a macroscopic spin-displacement field. First principles calculations confirm and quantify their presence in real materials. The two polarizations are directly coupled and emerge in orthogonal directions when inversion symmetry is broken, either by the system developing a spontaneously ferroelectric polarization (in ferroelectric altermagnets), or by a charge displacement induced by an external electric field (for inversion invariant altermagnetic insulators). This presence of large and switchable spin accumulations constitute an attractive fundamental feature of altermagnetic insulators.

cond-mat.str-el

Unconventional Josephson effects in {\it PT}-symmetric antiferromagnetic bilayers

We propose that unconventional Josephson effects can typically emerge in {\it PT}-symmetric antiferromagnetic (AFM) bilayer systems. When proximitized by a conventional superconductor, these heterostructures host dominant interlayer Cooper pairing that features a distinctive spin texture enabled by the strong exchange field. Specifically, we demonstrate a novel mechanism for electrically tunable 0-$\pi$ oscillations in lateral Josephson junctions, controlled by an out-of-plane electric displacement field. This behavior originates from field-induced finite-momentum Cooper pairing, a hallmark of the unique layer-pseudospin structure in {\it PT}-symmetric AFM bilayers. Furthermore, we introduce a Josephson giant magnetoresistor based on these exotic spin-layer-locked Cooper pairs, in which the supercurrent exhibits a strong dependence on the internal N\'{e}el order. Our findings establish {\it PT}-symmetric AFM bilayers as a versatile platform for phase-controllable Josephson junctions and superconducting magnetic random-access memory, with promising applications in superconducting circuits and ultralow-power computing.

cond-mat.supr-con

Multiple Topological Phases Controlled via Strain in Two-Dimensional Altermagnets

Altermagnets (AMs) are an emergent class of magnetic materials that combine properties of ferromagnets and antiferromagnets, exhibiting spin-polarized Fermi surfaces and zero net magnetic moment due to combined time-reversal and crystal symmetry. Here, we construct a Kondo-lattice model on a two-dimensional square Lieb lattice to investigate the topological properties of AMs. We identify a type-II quantum spin Hall state characterized by spin-polarized counterpropagating edge states. Breaking the $C_{4z}\mathcal{T}$ symmetry, which connects magnetic sublattices, induces a transition to a quantum anomalous Hall state. We further establish a strain-induced mechanism to control these topological phase transitions and present the corresponding phase diagram. Finally, we demonstrate the predicted transitions in monolayer CrO, a realistic altermagnetic candidate, using first-principles calculations. Our findings highlight the potential of 2D AMs as a versatile platform for topological spintronics, enabling strain-tunable helical and chiral edge states within a single system.

cond-mat.mes-hall

Spin Hall and Edelstein Effects in Novel Chiral Noncollinear Altermagnets

Altermagnets are a newly discovered class of magnetic phases that combine the spin polarization behavior of ferromagnetic band structures with the vanishing net magnetization characteristic of antiferromagnets. Initially proposed for collinear magnets, the concept has since been extended to include certain non-collinear structures. A recent development in Landau theory for collinear altermagnets incorporates spin-space symmetries, providing a robust framework for identifying this class of materials. Here we expand on that theory to identify altermagnetic multipolar order parameters in non-collinear chiral materials. We demonstrate that the interplay between non-collinear altermagnetism and chirality allows for spatially odd multipole components, leading to non-trivial spin textures on Fermi surfaces and unexpected transport phenomena, even in the absence of SOC. This makes such chiral altermagnets fundamentally different from the well-known SOC-driven Rashba-Edelstein and spin Hall effects used for 2D spintronics. Choosing the chiral topological magnetic material Mn$_3$IrSi as a case study, we apply toy models and first-principles calculations to predict experimental signatures, such as large spin-Hall and Edelstein effects, that have not been previously observed in altermagnets. These findings pave the way for a new realm of spintronics applications based on spin-transport properties of chiral altermagnets.

cond-mat.mtrl-sci

Robust Coulomb Gap and Varied-temperature Study of Epitaxial 1T'-WSe$_2$ Monolayers

The transition metal dichalcogenides (TMDCs) with a 1T' structural phase are predicted to be two-dimensional topological insulators at zero temperature. Although the quantized edge conductance of 1T'-WTe$_2$ has been confirmed to survive up to 100 K, this temperature is still relatively low for industrial applications. Addressing the limited studies on temperature effects in 1T'-TMDCs, our research focuses on the electronic and crystal properties of the epitaxial 1T'-WSe$_2$ monolayers grown on bilayer graphene (BLG) and SrTiO$_3$(100) substrates at various temperatures. For the 1T'-WSe$_2$ grown on BLG, we observed a significant thermal expansion effect on its band structures with a thermal expansion coefficient of $\sim$60$\times$10$^{-6}$ K$^{-1}$. In contrast, the 1T'-WSe$_2$ grown on SrTiO$_3$(100) exhibits minimal changes with varied temperatures due to the enhanced strain exerted by the substrate. Besides, A significant Coulomb gap (CG) was observed pinned at the Fermi level in the angle-resolved photoemission spectroscopy (ARPES) and scanning tunneling spectroscopy (STS). The CG was founded to decrease with increasing temperatures, and can persist up to 200 K for 1T'-WSe$_2$/BLG, consistent with our Monte Carlo simulations. The robustness of the CG and the positive fundamental gap endow the epitaxial 1T'-WSe$_2$ monolayers with huge potential for realizing the quantum spin Hall devices.

cond-mat.mes-hall

Catalogue of $C$-paired spin-momentum locking in antiferromagnetic systems

Antiferromagnetic materials (AFMs) have been gaining lots of attentions due to its great potential in spintronics devices and the recently discovered novel spin structure in the momentum space, i.e., $C$-paired spin-valley or spin-momentum locking (CSVL/CSML), where spins and valleys/momenta are locked to each other due to the crystal symmetry guaranteeing zero magnetization. Here, we systematically studied CSMLs and proposed a general theory and algorithm using little co-group and coset representatives, which reveals that 12 elementary kinds of CSMLs, determined by the geometric relation of spins and valleys and the essential symmetry guaranteeing zero magnetization, are sufficient to fully represent all possible CSMLs. By combining the proposed algorithm and high-throughput first-principles calculations, we predicted 38 magnetic point groups and identified 142 experimentally verified AFMs that can realize CSML. Besides predicting new materials, our theory can naturally reveal underlying mechanisms of CSMLs' responses to external fields. As an example, two qualitatively different types of piezomagnetism via occupation imbalance or spin tilting were predicted in RbV$_2$Te$_2$O. The algorithm and conclusions can be directly extended to the locking between valley/momentum and any other pseudo-vector degree of freedom, e.g., Berry curvature, as exemplified in RbV$_2$Te$_2$O and the new proposed piezo-Hall effect, where a strain can induce a non-zero anomalous Hall conductance. In addition, the proposed concept and methodology can be straightforwardly applied to other symmetry groups, such as spin group.

cond-mat.mtrl-sci

Topological Weyl Altermagnetism in CrSb

Altermagnets constitute a novel, third fundamental class of collinear magnetic ordered materials, alongside with ferro- and antiferromagnets. They share with conventional antiferromagnets the feature of a vanishing net magnetization. At the same time they show a spin-splitting of electronic bands, just as in ferromagnets, caused by the atomic exchange interaction. On the other hand, topology has recently revolutionized our understanding of condensed matter physics, introducing new phases of matter classified by intrinsic topological order. Here we connect the worlds of altermagnetism and topology, showing that the electronic structure of the altermagnet CrSb is topological and hosts a novel Weyl semimetallic state. Using high-resolution and spin angleresolved photoemission spectroscopy, we observe a large momentum-dependent spin-splitting in CrSb, reaching up to 1 eV, that induces altermagnetic Weyl nodes with an associated magnetic quantum number. At the surface we observe their spin-polarized topological Fermi-arcs. This establishes that in altermagnets the large energy scale intrinsic to the spin-splitting - orders of magnitude larger than the relativistic spin-orbit coupling - creates its own realm of robust electronic topology.

cond-mat.mtrl-sci

Crystal design of altermagnetism

Symmetry plays a fundamental role in condensed matter. The unique entanglement between magnetic sublattices and alternating crystal environment in altermagnets provides a unique opportunity for designing magnetic space symmetry. There have been extensive experimental efforts concentrated on tuning the Neel vector to reconstruct altermagnetic symmetry. However, it remains challenging to modulate the altermagnetic symmetry through the crystal aspect. Here, the crystal design of altermagnetism is successfully realized, by breaking glide mirrors and magnetic mirrors of the (0001) crystallographic plane in CrSb films via crystal distortion. We establish a locking relationship between altermagnetic symmetry and the emergent Dzyaloshinskii-Moriya (DM) vectors in different CrSb films, realizing unprecedentedly room-temperature spontaneous anomalous Hall effect in an altermagnetic metal. The concept of exchange-coupling torques is broadened to include both antiferromagnetic exchange-coupling torque and DM torque. Their relationship is designable, determining electrical manipulation modes, e.g., field-assisted switching for CrSb(1-100)/Pt and field-free switching for W/CrSb(11-20). Particularly, the unprecedentedly field-free 100-percent switching of Neel vectors is realized by making these two torques parallel or antiparallel, dependent on Neel vector orientation. Besides unravelling the rich mechanisms for electrical manipulation of altermagnetism rooted in broadened concept of exchange-coupling torques, we list other material candidates and propose that crystal design of altermagnetism would bring rich designability to magnonics, topology, etc.

cond-mat.mtrl-sci

Multifunctional Antiferromagnetic Materials with Giant Piezomagnetism and Noncollinear Spin Current

We propose a new type of spin-valley locking (SVL), named $\textit{C}$-paired SVL, in antiferromagnetic systems, which directly connects the spin/valley space with the real space, and hence enables both static and dynamical controls of spin and valley to realize a multifunctional antiferromagnetic material. The new emergent quantum degree of freedom in the $\textit{C}$-paired SVL is comprised of spin-polarized valleys related by a crystal symmetry instead of the time-reversal symmetry. Thus, both spin and valley can be accessed by simply breaking the corresponding crystal symmetry. Typically, one can use a strain field to induce a large net valley polarization/magnetization and use a charge current to generate a large noncollinear spin current. We predict the realization of the $\textit{C}$-paired SVL in monolayer V$_2$Se$_2$O, which indeed exhibits giant piezomagnetism and can generate a large transverse spin current. Our findings provide unprecedented opportunities to integrate various controls of spin and valley with nonvolatile information storage in a single material, which is highly desirable for versatile fundamental research and device applications.

cond-mat.mtrl-sci

Realistic tight-binding model for monolayer transition metal dichalcogenides in 1T' structure

Monolayer transition metal dichalcogenides $MX_2$ ($M$ = Mo,W and $X$ = Te, Se, S) in 1T' structure were predicted to be quantum spin Hall insulators based on first-principles calculations, which were quickly confirmed by multiple experimental groups. For a better understanding of their properties, in particular their responses to external fields, we construct a realistic four-band tight-binding (TB) model by combining the symmetry analysis and first-principles calculations. Our TB model respects all the symmetries and can accurately reproduce the band structure in a large energy window from -0.3 eV to 0.8 eV. With the inclusion of spin-orbital coupling (SOC), our TB model can characterize the nontrivial topology and the corresponding edge states. Our TB model can also capture the anisotropic strain effects on the band structure and the strain-induced metal-insulator transition. Moreover, we found that although $MX_2$ share the same crystal structures and have the same crystal symmetries, while the orbital composition of states around the Fermi level are qualitatively different and their lower-energy properties cannot fully described by a single k $\cdot$ p model. Thus, we construct two different types of k $\cdot$ p model for $M$S$_2$,$M$Se$_2$ and $M$Te$_2$, respectively. Benefiting from the high accuracy and simplicity, our TB and k $\cdot$ p models can serve as a solid and concrete starting point for future studies of transport, superconductivity, strong correlation effects and twistronics in 1T'-transition metal dichalcogenides.

cond-mat.mtrl-sci

Strain Tunable Semimetal-Topological-Insulator Transition in Monolayer 1T'-WTe2

A quantum spin hall insulator(QSHI) is manifested by its conducting edge channels that originate from the nontrivial topology of the insulating bulk states. Monolayer 1T'-WTe2 exhibits this quantized edge conductance in transport measurements, but because of its semimetallic nature, the coherence length is restricted to around 100 nm. To overcome this restriction, we propose a strain engineering technique to tune the electronic structure, where either a compressive strain along a axis or a tensile strain along b axis can drive 1T'-WTe2 into an full gap insulating phase. A combined study of molecular beam epitaxy and in-situ scanning tunneling microscopy/spectroscopy then confirmed such a phase transition. Meanwhile, the topological edge states were found to be very robust in the presence of strain.

cond-mat.mtrl-sci

Band engineering of a magnetic thin film rare earth monopnictide

Realizing quantum materials in few atomic layer morphologies is a key to both observing and controlling a wide variety of exotic quantum phenomena. This includes topological electronic materials, where the tunability and dimensionality of few layer materials have enabled the detection of $Z_2$, Chern, and Majorana phases. Here, we report the development of a platform for thin film correlated, topological states in the magnetic rare-earth monopnictide ($RX$) system GdBi synthesized by molecular beam epitaxy. This material is known from bulk single crystal studies to be semimetallic antiferromagnets with Neel temperature $T_N =$ 28 K and is the magnetic analog of the non-$f$-electron containing system LaBi proposed to have topological surface states. Our transport and magnetization studies of thin films grown epitaxially on BaF$_2$ reveal that semimetallicity is lifted below approximately 8 crystallographic unit cells while magnetic order is maintained down to our minimum thickness of 5 crystallographic unit cells. First-principles calculations show that the non-trivial topology is preserved down to the monolayer limit, where quantum confinement and the lattice symmetry give rise to a $C=2$ Chern insulator phase. We further demonstrate the stabilization of these films against atmospheric degradation using a combination of air-free buffer and capping procedures. These results together identify thin film $RX$ materials as potential platforms for engineering topological electronic bands in correlated magnetic materials.

cond-mat.str-el