Layer Hall effect induced by hidden Berry curvature in antiferromagnetic insulators.

The layer Hall effect describes electrons spontaneously deflected to opposite sides at different layers, which has been experimentally reported in the MnBi2Te4 thin films under perpendicular electric fields. Here, we reveal a universal origin of the layer Hall effect in terms of the so-called hidden Berry curvature, as well as material design principles. Hence, it gives rise to zero Berry curvature in momentum space but non-zero layer-locked hidden Berry curvature in real space. We show that, compared to that of a trivial insulator, the layer Hall effect is significantly enhanced in antiferromagnetic topological insulators. Our universal picture provides a paradigm for revealing the hidden physics as a result of the interplay between the global and local symmetries, and can be generalized in various scenarios.

Chiral Charge Density Wave and Backscattering-Immune Orbital Texture in Monolayer 1T-TiTe2.

Nontrivial electronic states are attracting intense attention in low-dimensional physics. Though chirality has been identified in charge states with a scalar order parameter, its intertwining with charge density waves (CDW), film thickness, and the impact on the electronic behaviors remain less well understood. Here, using scanning tunneling microscopy, we report a 2 × 2 chiral CDW as well as a strong suppression of the Te-5p hole-band backscattering in monolayer 1T-TiTe2. These exotic characters vanish in bilayer TiTe2 in a non-CDW state. Theoretical calculations prove that chirality comes from a helical stacking of the triple-q CDW components and, therefore, can persist at the two-dimensional limit. Furthermore, the chirality renders the Te-5p bands with an unconventional orbital texture that prohibits electron backscattering. Our study establishes TiTe2 as a promising playground for manipulating the chiral ground states at the monolayer limit and provides a novel path to engineer electronic properties from an orbital degree.

Atomic Origins of Enhanced Ferroelectricity in Nanocolumnar PbTiO3 /PbO Composite Thin Films.

Nanocomposite films hold great promise for multifunctional devices by integrating different functionalities within a single film. The microstructure of the precipitate/secondary phase is an essential element in designing composites' properties. The interphase strain between the matrix and secondary phase is responsible for strain-mediated functionalities, such as magnetoelectric coupling and ferroelectricity. However, a quantitative microstructure-dependent interphase strain characterization has been scarcely studied. Here, it is demonstrated that the PbTiO3 (PTO)/PbO composite system can be prepared in nano-spherical and nanocolumnar configurations by tuning the misfit strain, confirmed by a three-dimensional reconstructive microscopy technique. With the atomic resolution quantitative microscopy with a depth resolution of a few nanometers, it is discovered that the strained region in PTO is much larger and more uniform in nanocolumnar compared to nano-spherical composites, resulting in much enhanced ferroelectric properties. The interphase strain between PbO and PTO in the nanocolumnar structure leads to a giant c/a ratio of 1.20 (bulk value of 1.06), accompanied by a Ti polarization displacement of 0.48 Å and an effective ferroelectric polarization of 241.7 µC cm-2 , three times compared to the bulk value. The quantitative atomic-scale strain and polarization analysis on the interphase strain provides an important guideline for designing ferroelectric nanocomposites.

Ultrafast Suppression of the Ferroelectric Instability in KTaO_{3}.

We use an x-ray free-electron laser to study the lattice dynamics following photoexcitation with ultrafast near-UV light (wavelength 266 nm, 50 fs pulse duration) of the incipient ferroelectric potassium tantalate, KTaO_{3}. By probing the lattice dynamics corresponding to multiple Brillouin zones through the x-ray diffuse scattering with pulses from the Linac Coherent Light Source (LCLS) (wavelength 1.3 Å and <10 fs pulse duration), we observe changes in the diffuse intensity associated with a hardening of the transverse acoustic phonon branches along Γ to X and Γ to M. Using force constants from density functional theory, we fit the quasiequilibrium intensity and obtain the instantaneous lattice temperature and density of photoexcited charge carriers. The density functional theory calculations demonstrate that photoexcitation transfers charge from oxygen 2p derived π-bonding orbitals to Ta 5d derived antibonding orbitals, further suppressing the ferroelectric instability and increasing the stability of the cubic, paraelectric structure.

Spin-phonon dispersion in magnetic materials.

Microscopic coupling between the electron spin and the lattice vibration is responsible for an array of exotic properties from morphic effects in simple non magnets to magnetodielectric coupling in multiferroic spinels and hematites. Traditionally, a single spin-phonon coupling constant is used to characterize how effectively the lattice can affect the spin, but it is hardly enough to capture novel electromagnetic behaviors to the full extent. Here, we introduce a concept of spin-phonon dispersion to project the spin moment change along the phonon crystal momentum direction, so the entire spin change can be mapped out. Different from the phonon dispersion, the spin-phonon dispersion has both positive and negative frequency branches even in the equilibrium ground state, which correspond to the spin enhancement and spin reduction, respectively. Our study of bcc Fe and hcp Co reveals that the spin force matrix, that is, the second-order spatial derivative of spin moment, is similar to the vibrational force matrix, but its diagonal elements are smaller than the off-diagonal ones. This leads to the distinctive spin-phonon dispersion. The concept of spin-phonon dispersion expands the traditional Elliott-Yafet theory in nonmagnetic materials to the entire Brillouin zone in magnetic materials, thus opening the door to excited states in systems such as CoF2and NiO, where a strong spin-lattice coupling is detected in the THz regime.

Chemical control of spin-lattice relaxation to discover a room temperature molecular qubit.

The second quantum revolution harnesses exquisite quantum control for a slate of diverse applications including sensing, communication, and computation. Of the many candidates for building quantum systems, molecules offer both tunability and specificity, but the principles to enable high temperature operation are not well established. Spin-lattice relaxation, represented by the time constant T 1, is the primary factor dictating the high temperature performance of quantum bits (qubits), and serves as the upper limit on qubit coherence times (T 2). For molecular qubits at elevated temperatures (>100 K), molecular vibrations facilitate rapid spin-lattice relaxation which limits T 2 to well below operational minimums for certain quantum technologies. Here we identify the effects of controlling orbital angular momentum through metal coordination geometry and ligand rigidity via π-conjugation on T 1 relaxation in three four-coordinate Cu2+ S = ½ qubit candidates: bis(N,N'-dimethyl-4-amino-3-penten-2-imine) copper(ii) (Me2Nac)2 (1), bis(acetylacetone)ethylenediamine copper(ii) Cu(acacen) (2), and tetramethyltetraazaannulene copper(ii) Cu(tmtaa) (3). We obtain significant T 1 improvement upon changing from tetrahedral to square planar geometries through changes in orbital angular momentum. T 1 is further improved with greater π-conjugation in the ligand framework. Our electronic structure calculations reveal that the reduced motion of low energy vibrations in the primary coordination sphere slows relaxation and increases T 1. These principles enable us to report a new molecular qubit candidate with room temperature T 2 = 0.43 µs, and establishes guidelines for designing novel qubit candidates operating above 100 K.

Observation of Magnetism-Induced Topological Edge State in Antiferromagnetic Topological Insulator MnBi4Te7.

Breaking time reversal symmetry in a topological insulator may lead to quantum anomalous Hall effect and axion insulator phase. MnBi4Te7 is a recently discovered antiferromagnetic topological insulator with TN ∼ 12.5 K, which is composed of an alternatively stacked magnetic layer (MnBi2Te4) and nonmagnetic layer (Bi2Te3). By means of scanning tunneling spectroscopy, we clearly observe the electronic state present at a step edge of a magnetic MnBi2Te4 layer but absent at nonmagnetic Bi2Te3 layers at 4.5 K. Furthermore, we find that as the temperature rises above TN the edge state vanishes, while the point defect induced state persists upon an increase in temperature. These results confirm the observation of magnetism-induced edge states. Our analysis based on an axion insulator theory reveals that the nontrivial topological nature of the observed edge state.

Interlayer magnetophononic coupling in MnBi2Te4.

The emergence of magnetism in quantum materials creates a platform to realize spin-based applications in spintronics, magnetic memory, and quantum information science. A key to unlocking new functionalities in these materials is the discovery of tunable coupling between spins and other microscopic degrees of freedom. We present evidence for interlayer magnetophononic coupling in the layered magnetic topological insulator MnBi2Te4. Employing magneto-Raman spectroscopy, we observe anomalies in phonon scattering intensities across magnetic field-driven phase transitions, despite the absence of discernible static structural changes. This behavior is a consequence of a magnetophononic wave-mixing process that allows for the excitation of zone-boundary phonons that are otherwise 'forbidden' by momentum conservation. Our microscopic model based on density functional theory calculations reveals that this phenomenon can be attributed to phonons modulating the interlayer exchange coupling. Moreover, signatures of magnetophononic coupling are also observed in the time domain through the ultrafast excitation and detection of coherent phonons across magnetic transitions. In light of the intimate connection between magnetism and topology in MnBi2Te4, the magnetophononic coupling represents an important step towards coherent on-demand manipulation of magnetic topological phases.

Magnetic-Field-Induced Dielectric Anomalies in Cobalt-Containing Garnets.

Here we present a comparative study of the magnetic and crystal chemical properties of two Co2+ containing garnets. CaY2Co2Ge3O12 (which has been reported previously) and NaCa2Co2V3O12 both exhibit the onset of antiferromagnetic order around 6 K as well as field-induced transitions around 7 and 10 T, respectively, that manifest as anomalies in the dielectric properties of the material. We perform detailed crystal-chemistry analyses and complementary density functional theory calculations to show that very minor changes in the local environment of the Co ions explain the differences in the two magnetic structures and their respective properties.

Role of Hidden Spin Polarization in Nonreciprocal Transport of Antiferromagnets.

The discovery of hidden spin polarization (HSP) in centrosymmetric nonmagnetic crystals, i.e., spatially distributed spin polarization originated from local symmetry breaking, has promised an expanded material pool for future spintronics. However, the measurements of such exotic effects have been limited to subtle space- and momentum-resolved techniques, unfortunately, hindering their applications. Here, we theoretically predict macroscopic non-reciprocal transports induced by HSP when coupling another spatially distributed quantity, such as staggered local moments in a space-time PT-symmetric antiferromagnet. By using a four-band model Hamiltonian, we demonstrate that HSP plays a crucial role in determining the asymmetric bands with respect to opposite momenta. Such band asymmetry leads to non-reciprocal nonlinear conductivity, exemplified by tetragonal CuMnAs via first-principles calculations. We further provide the material design principles for large nonlinear conductivity, including two-dimensional nature, multiple band crossings near the Fermi level, and symmetry protected HSP. Our Letter not only reveals direct spintronic applications of HSP (such as Néel order detection), but also sheds light on finding observables of other hidden effects, such as hidden optical polarization and hidden Berry curvature.

Pressure-Tuned Intralayer Exchange in Superlattice-Like MnBi2Te4/(Bi2Te3)n Topological Insulators.

The magnetic structures of MnBi2Te4(Bi2Te3)n can be manipulated by tuning the interlayer coupling via the number of Bi2Te3 spacer layers n, while the intralayer ferromagnetic (FM) exchange coupling is considered too robust to control. By applying hydrostatic pressure up to 3.5 GPa, we discover opposite responses of magnetic properties for n = 1 and 2. MnBi4Te7 stays at A-type antiferromagnetic (AFM) phase with a decreasing Néel temperature and an increasing saturation field. In sharp contrast, MnBi6Te10 experiences a phase transition from A-type AFM to a quasi-two-dimensional FM state with a suppressed saturation field under pressure. First-principles calculations reveal the essential role of intralayer exchange coupling from lattice compression in determining these magnetic properties. Such magnetic phase transition is also observed in 20% Sb-doped MnBi6Te10 because of the in-plane lattice compression.

Spectral signatures of the surface anomalous Hall effect in magnetic axion insulators.

The topological surface states of magnetic topological systems, such as Weyl semimetals and axion insulators, are associated with unconventional transport properties such as nonzero or half-quantized surface anomalous Hall effect. Here we study the surface anomalous Hall effect and its spectral signatures in different magnetic topological phases using both model Hamiltonian and first-principles calculations. We demonstrate that by tailoring the magnetization and interlayer electron hopping, a rich three-dimensional topological phase diagram can be established, including three types of topologically distinct insulating phases bridged by Weyl semimetals, and can be directly mapped to realistic materials such as MnBi2Te4/(Bi2Te3)n systems. Among them, we find that the surface anomalous Hall conductivity in the axion-insulator phase is a well-localized quantity either saturated at or oscillating around e2/2h, depending on the magnetic homogeneity. We also discuss the resultant chiral hinge modes embedded inside the side surface bands as the potential experimental signatures for transport measurements. Our study is a significant step forward towards the direct realization of the long-sought axion insulators in realistic material systems.

Spectral Addressability in a Modular Two Qubit System.

The combination of structural precision and reproducibility of synthetic chemistry is perfectly suited for the creation of chemical qubits, the core units of a quantum information science (QIS) system. By exploiting the atomistic control inherent to synthetic chemistry, we address a fundamental question of how the spin-spin distance between two qubits impacts electronic spin coherence. To achieve this goal, we designed a series of molecules featuring two spectrally distinct qubits, an early transition metal, Ti3+, and a late transition metal, Cu2+ with increasing separation between the two metals. Crucially, we also synthesized the monometallic congeners to serve as controls. The spectral separation between the two metals enables us to probe each metal individually in the bimetallic species and compare it with the monometallic control samples. Across a range of 1.2-2.5 nm, we find that electron spins have a negligible effect on coherence times, a finding we attribute to the distinct resonance frequencies. Coherence times are governed, instead, by the distance to nuclear spins on the other qubit's ligand framework. This finding offers guidance for the design of spectrally addressable molecular qubits.

miR-144-3p Contributes to the Development of Thyroid Tumors Through the PTEN/PI3K/AKT Pathway.

PURPOSE: To explore the expression and related mechanism of miR-144-3p and PTEN in thyroid cancer (TC). PATIENTS AND METHODS: From February 2018 to November 2019, 62 patients with TC who received treatment in Chengwu Hospital Affiliated to Shandong First Medical University were collected. TC cells and human normal thyroid HTori-3 cells were purchased. The miR-144-3p-inhibitor, miR-144-3p-mimics, empty vector plasmid (miRNA-NC), si-PTEN and sh-PTEN were transfected into B-CPAP and HTh-7 cells. The expressions of miR-144-3p and PTEN in the specimens were tested by qRT-PCR (qP). WB was used to detect the expression of Bcl-2, APR3, N-cadherin, Slug and Bax proteins in the cells. The cell proliferation was detected by MTT, and the cell invasion was tested by Transwell. The apoptosis was detected by flow cytometry (FC). RESULTS: miR-144-3p was highly expressed and PTEN was weakly expressed in the patients' tissues. The AUC of miR-144-3p and PTEN was >0.8. miR-144-3p and PTEN were related to TNM stage, lymph node metastasis and differentiation degree of TC patients. The B-CPAP and HTh-7 with the greatest expression differences were selected for transfection. The expression of miR-144-3p in miR-144-3p-inhibitor group was significantly lower than that in NC group (P<0.01), and that in miR-144-3p-mimics group was significantly higher than that in NC group (p < 0.01). The expression of PTEN in si-PTEN group was significantly lower than that in NC group (P<0.01), while that in sh-PTEN group was significantly higher than that in NC group (P<0.01). Silencing miR-144-3p and overexpressing PTEN could inhibit cell proliferation, invasion and promote apoptosis. WB detection uncovered that silencing the miR-144-3p expression and overexpressing PTEN could inhibit the PI3K, Akt, p-AKT, Bcl-2, APR3 and cyclinD1 proteins and promote the up-regulation of Bax expression. Rescue experiments revealed that the cell proliferation, invasion and apoptosis were not different from NC after co-transfection of miR-144-3p-mimics+sh-PTEN and miR-144-3p-inhibitor+si-PTEN into B-CPAP and HTh-7. CONCLUSION: Inhibition of miR-144-3p expression can up-regulate PTEN and affect cell proliferation, invasion and apoptosis, which may be a potential therapeutic target for TC.

Antitumor Effect of Cycle Inhibiting Factor Expression in Colon Cancer via Salmonella VNP20009.

BACKGROUND: Colon cancer is one of the major causes of morbidity and mortality worldwide. Cycle inhibiting factors (Cifs) have been shown to deamidate Nedd8, resulting in cell cycle arrest. OBJECTIVE: To determine the antitumor effect of Cifs on colon cancer by using attenuated Salmonella typhimurium VNP20009. METHODS: The VNP-SOPE2-cif and VNP-SOPE2-cif-C/A plasmids were transfected into attenuated Salmonella typhimurium VNP20009. The efficiency and specificity of the Cif promoter were validated in colon cancer SW480 cell lines. Western blotting was subsequently performed to evaluate cell cycle regulators, including P21, P27 and Wee1. In vivo, the antitumor effect of VNP20009 was evaluated in a colon cancer xenograft model. RESULTS: Firstly, VNP-SOPE2-cif and VNP-SOPE2-cif-C/A were selectively expressed both in the bacterial and colon cancer cells. Cif expression in SW480 cells via the VNP tumor-targeted expression system induced the accumulation of Wee1, p21 and p27 expression. Moreover, tumor growth was significantly inhibited in the mice with VNP-SOPE2-cif compared to the mice with VNP with the empty construct. CONCLUSION: These results suggest that Cif gene delivered by VNP20009 is a promising approach for the treatment of colon cancer.

Extreme tensile strain states in La0.7Ca0.3MnO3 membranes.

A defining feature of emergent phenomena in complex oxides is the competition and cooperation between ground states. In manganites, the balance between metallic and insulating phases can be tuned by the lattice; extending the range of lattice control would enhance the ability to access other phases. We stabilized uniform extreme tensile strain in nanoscale La0.7Ca0.3MnO3 membranes, exceeding 8% uniaxially and 5% biaxially. Uniaxial and biaxial strain suppresses the ferromagnetic metal at distinctly different strain values, inducing an insulator that can be extinguished by a magnetic field. Electronic structure calculations indicate that the insulator consists of charge-ordered Mn4+ and Mn3+ with staggered strain-enhanced Jahn-Teller distortions within the plane. This highly tunable strained membrane approach provides a broad opportunity to design and manipulate correlated electron states.

Uniaxial Strain-Controlled Ground States in Manganite Films.

Strongly correlated perovskite oxides exhibit a plethera of intriguing phenomena and stimulate a great potential for multifunctional device applications. Utilizing tunable uniaxial strain, rather than biaxial or anisotropic strain, delivered from the crystallography of a single crystal substrate to modify the ground state of strongly correlated perovskite oxides has rarely been addressed for phase-space control. Here, we show that the physical properties of La2/3Ca1/3MnO3 (LCMO) films are remarkably different depending on the crystallographic orientations of the orthorhombic NdGaO3 (NGO) substrates. More importantly, the antiferromagnetic charge-ordered insulating (COI) phase induced in the (100) or (001)-oriented LCMO films can be dramatically promoted (or suppressed) by a uniaxial tensile (or compressive) bending stress along the in-plane [010] direction. By contrast, the COI phase is nearly unaffected along the other transverse in-plane directions. Results from scanning transmission electron microscopy reveal that the (100)- or (001)-oriented LCMO films are uniaxially tensile strained along the [010] direction, while the LCMO/NGO(010) and LCMO/NGO(110) films remaining as a bulklike ferromagnetic metallic state exhibit a different strain state. Density functional theory calculations further reveal that the cooperatively increased Jahn-Teller distortion and charge ordering may be indispensible for the inducing and promoting of the COI phase. These findings provide a path to understand the correlation between local and extended structural distortions imparted by coherent epitaxy and the electronic states for quantum phase engineering.

Discovery of Cu3Pb.

Materials discovery enables both realization and understanding of new, exotic, physical phenomena. An emerging approach to the discovery of novel phases is high-pressure synthesis within diamond anvil cells, thereby enabling in situ monitoring of phase formation. Now, the discovery via high-pressure synthesis of the first intermetallic compound in the Cu-Pb system, Cu3Pb is reported. Cu3Pb is notably the first structurally characterized mid- to late-first-row transition-metal plumbide. The structure of Cu3Pb can be envisioned as a direct mixture of the two elemental lattices. From this new framework, we gain insight into the structure as a function of pressure and hypothesize that the high-pressure polymorph of lead is a possible prerequisite for the formation of Cu3Pb. Crucially, electronic structure computations reveal band crossings near the Fermi level, suggesting that chemically doped Cu3Pb could be a topologically nontrivial material.

Observation of Quasi-Two-Dimensional Polar Domains and Ferroelastic Switching in a Metal, Ca3Ru2O7.

Polar domains arise in insulating ferroelectrics when free carriers are unable to fully screen surface-bound charges. Recently discovered binary and ternary polar metals exhibit broken inversion symmetry coexisting with free electrons that might be expected to suppress the electrostatic driving force for domain formation. Contrary to this expectation, we report the first direct observation of polar domains in single crystals of the polar metal Ca3Ru2O7. By a combination of mesoscale optical second-harmonic imaging and atomic-resolution scanning transmission electron microscopy, the polar domains are found to possess a quasi-two-dimensional slab geometry with a lateral size of ∼100 µm and thickness of ∼10 nm. Electronic structure calculations show that the coexistence of electronic and parity-lifting orders arise from anharmonic lattice interactions, which support 90° and 180° polar domains in a metal. Using in situ transmission electron microscopy, we also demonstrate a strain-tuning route to achieve ferroelastic switching of polar metal domains.

Ultrafast Band Engineering and Transient Spin Currents in Antiferromagnetic Oxides.

We report a dynamic structure and band engineering strategy with experimental protocols to induce indirect-to-direct band gap transitions and coherently oscillating pure spin-currents in three-dimensional antiferromagnets (AFM) using selective phononic excitations. In the Mott insulator LaTiO3, we show that a photo-induced nonequilibrium phonon mode amplitude destroys the spin and orbitally degenerate ground state, reduces the band gap by 160 meV and renormalizes the carrier masses. The time scale of this process is a few hundreds of femtoseconds. Then in the hole-doped correlated metallic titanate, we show how pure spin-currents can be achieved to yield spin-polarizations exceeding those observed in classic semiconductors. Last, we demonstrate the generality of the approach by applying it to the non-orbitally degenerate AFM CaMnO3. These results advance our understanding of electron-lattice interactions in structures out-of-equilibrium and establish a rational framework for designing dynamic phases that may be exploited in ultrafast optoelectronic and optospintronic devices.