Study of the Berezinskii-Kosterlitz-Thouless transition: an unsupervised machine learning approach.

The Berezinskii-Kosterlitz-Thouless (BKT) transition in magnetic systems is an intriguing phenomenon, and estimating the BKT transition temperature is a long-standing problem. In this work, we explore anisotropic classical Heisenberg XY and XXZ models with ferromagnetic exchange on a square lattice and antiferromagnetic exchange on a triangular lattice using an unsupervised machine learning approach called principal component analysis (PCA). The earlier PCA studies of the BKT transition temperature ($T_{BKT}$) using the vorticities as input fail to give any conclusive results, whereas, in this work, we show that the proper analysis of the first principal component-temperature curve can estimate $T_{BKT}$ which is consistent with the existing literature. This analysis works well for the anisotropic classical Heisenberg with a ferromagnetic exchange on a square lattice and frustrated antiferromagnetic exchange on a triangular lattice. The classical anisotropic Heisenberg antiferromagnetic model on the triangular lattice has two close transitions: the $T_{BKT}$ and Ising-like phase transition for chirality at $T_c$, and it is difficult to separate these transition points. It is also noted that using the PCA method and manipulation of their first principal component not only makes the separation of transition points possible but also determines transition temperature.

Quantum phase transitions in skewed ladder systems.

In this brief review, we introduce a new spin ladder system called skewed spin ladders and discuss the exotic quantum phases of this system. The spin ladders studied are the 5/7, 3/4 and 3/5 systems corresponding to alternately fused 5 and 7 membered rings; 3 and 4 membered rings; and 3 and 5 membered rings. These ladders show completely different behaviour as the Hamiltonian model parameter is changed. When the Hamiltonian parameter is increased the 5/7 ladder switches from an initial singlet ground state to progressively higher spin ground state and then to a reentrant singlet state before finally settling to the highest spin ground state whose spin equals the number of unit cells in the system. The 3/4 ladder goes from a singlet ground state to a high spin ground state with each unit cell contributing spin 1 to the state, as the model parameter is increased. The 3/5 ladder shows a singlet ground state for small parameters and high spin ground state for intermediate values of the parameter and for still higher parameters, a reentrant singlet ground state. They can also show interesting magnetization plateaus as illustrated by studies on a specific spin ladder.

Machine learning approach to study quantum phase transitions of a frustrated one dimensional spin-1/2 system.

Frustration-driven quantum fluctuation leads to many exotic phases in the ground state (GS) and the study of these quantum phase transitions is one of the most challenging areas of research in condensed matter physics. We study a frustrated HeisenbergJ1-J2model of spin-1/2 chain with nearest exchange interactionJ1and next nearest exchange interactionJ2using the principal component analysis (PCA) which is an unsupervised machine learning technique. In this method most probable spin configurations (MPSCs) of GS and first excited state (FES) for differentJ2/J1are used as the input in PCA to construct the covariance matrix. The 'quantified principal component'p1(J2/J1)of the largest eigenvalue of the covariance matrix is calculated and it is shown that the nature and variation ofp1(J2/J1)can accurately predict the phase transitions and degeneracies in the GS. Thep1(J2/J1)calculated from the MPSC of GS only exhibits the signature of degeneracies in the GS, whereas,p1(J2/J1)calculated from the MPSC of FES captures the gapless spin liquid (GSL)-dimer phase transition as well as all the degeneracies of the model system. We show that the jump inp1(J2/J1)of FES atJ2/J1≈0.241, indicates the GSL-dimer phase transition, whereas its kinks give the signature of the GS degeneracies. The scatter plot of the first two principal components of FES shows distinct band formation for different phases. The MPSCs are obtained by using an iterative variational method (IVM) which gives the approximate eigenvalues and eigenvectors.

Quantum Phase Diagram of a Frustrated Spin-1/2 Ferro-Antiferromagnetic Normal Ladder.

In this work, we consider a frustrated two-leg spin-1/2 ladder composed of Heisenberg ferromagnetic and antiferromagnetic spin-1/2 chains, and nearest spins from different legs interact via Heisenberg type rung exchange interactions that can be either ferromagnetic or antiferromagnetic in nature. The competing exchange interactions in the system lead to five different quantum phases like ferromagnetic, non-collinear ferrimagnetic (NCF), m - 1 / 4 ${m - 1/4}$ , antiferromagnetic and dimer phases. The  quantum phase diagram is constructed for the Heisenberg spin-1/2 model and the phases are characterized using the correlation functions which are calculated by the density matrix renormalization group method. We also analyze the  stability of m - 1 / 4 ${m - 1/4}$ phase and calculate the pitch angle θ ${\left( \theta \right)}$ in the NCF phase.

Anomalous Hall effect in topological Weyl and nodal-line semimetal Heusler compound Co2VAl.

Magnetic topological semimetals (TSMs) with broken time-reversal symmetry are very rare and have drawn significant attention in condensed matter physics due to their numerous intriguing topological properties. Among these various magnetic TSMs, Co2-based full Heusler compounds are of current interest, since a few of these materials exhibit Weyl and nodal fermions in their topological band structure. In this work, we report a comprehensive study of anomalous Hall effect (AHE) in the ferromagnetic full Heusler compound Co2VAl. Recent studies indicate that the intrinsic AHE is closely related to the Berry curvature of the occupied electronic Bloch states. The present study of Co2VAl attempts to understand and explore the possibility of topology-induced AHE. The anomalous Hall resistivityρxyAis observed to scale quadratically with the longitudinal resistivityρxx. Our experimental results also reveal that the anomalous Hall conductivity (AHC) is ∼85 cm-1at 2 K with an intrinsic contribution of ∼75.6 S cm-1, and is nearly insensitive to temperature. The first principle calculations note that the Berry curvature originated from a gapped nodal line and symmetry-protected Weyl nodes near the Fermi level (EF) is the main source of AHE in this compound. Thus, this investigation on Co2VAl discloses that it is a ferromagnetic Weyl and nodal-line TSM. The theoretically calculated AHC is in well agreement with the experimentally obtained AHC.

Emergent many-body composite excitations of interacting spin-1/2 trimers.

Understanding exotic forms of magnetism in quantum spin systems is an emergent topic of modern condensed matter physics. Quantum dynamics can be described by particle-like carriers of information, known-as quasiparticles that appear from the collective behaviour of the underlying system. Spinon excitations, governing the excitations of quantum spin-systems, have been accurately calculated and precisely verified experimentally for the antiferromagnetic chain model. However, identification and characterization of novel quasiparticles emerging from the topological excitations of the spin system having periodic exchange interactions are yet to be obtained. Here, we report the identification of emergent composite excitations of the novel quasiparticles doublons and quartons in spin-1/2 trimer-chain antiferromagnet Na2Cu3Ge4O12 (having periodic intrachain exchange interactions J1-J1-J2) and its topologically protected quantum 1/3 magnetization-plateau state. The characteristic energies, dispersion relations, and dynamical structure factor of neutron scattering as well as macroscopic quantum 1/3 magnetization-plateau state are in good agreement with the state-of-the-art dynamical density matrix renormalization group calculations.

Quantum phases and thermodynamics of a frustrated spin-1/2 ladder with alternate Ising-Heisenberg rung interactions.

We study a frustrated two-leg spin ladder with alternate isotropic Heisenberg and Ising rung exchange interactions, whereas, interactions along legs and diagonals are Ising-type. All the interactions in the ladder are anti-ferromagnetic in nature and induce frustration in the system. This model shows four interesting quantum phases: (i) stripe rung ferromagnetic (SRFM), (ii) stripe rung ferromagnetic with edge singlet (SRFM-E), (iii) anisotropic antiferromagnetic (AAFM), and (iv) stripe leg ferromagnetic (SLFM) phase. We construct a quantum phase diagram for this model and show that in stripe rung ferromagnet (SRFM), the same type of sublattice spins (either isotropicS-type or discrete anisotropicσ-type spins) are aligned in the same direction. Whereas, in anisotropic antiferromagnetic phase, bothSandσ-type of spins are anti-ferromagnetically aligned with each other, two nearestSspins along the rung form an anisotropic singlet bond whereas two nearestσspins form an Ising bond. In large Heisenberg rung exchange interaction limit, spins on each leg are ferromagnetically aligned, but spins on different legs are anti-ferromagnetically aligned. The thermodynamic quantities like specific heatCv(T), magnetic susceptibilityχ(T) and thermal entropyS(T) are also calculated using the transfer matrix method for various phases. The magnetic gap in the SRFM and the SLFM can be noticed fromχ(T) andCv(T) curves.

Modelling water levels of northwestern India in response to improved irrigation use efficiency.

The groundwater crisis in northwestern India is the result of over-exploitation of groundwater resources for irrigation. The Government of India has targeted a 20 percent improvement in irrigation groundwater use efficiency. In this perspective, and using a regional-scale calibrated and validated three-dimensional groundwater flow model, this article provides the first forecasts of water levels in the study area up to the year 2028, both with and without this improvement in use efficiency. Future water levels without any mitigation efforts are anticipated to decline by up to 2.8 m/year in some areas. A simulation with a 20 percent reduction in groundwater abstraction shows spatially varied aquifer responses. Tangible results are visible in a decade, and the water-level decline rates decrease by 36-67 percent in over-exploited areas. Although increasing irrigation use efficiency provides tangible benefits, an integrated approach to agricultural water management practice that incorporates use efficiency along with other measures like water-efficient cropping patterns and rainwater harvesting may yield better results in a shorter period.

Speed inhomogeneity accelerates information transfer in polar flock.

A collection of self-propelled particles (SPPs) shows coherent motion and exhibits a true long-range-ordered state in two dimensions. Various studies show that the presence of spatial inhomogeneities can destroy the usual long-range ordering in the system. However, the effects of inhomogeneity due to the intrinsic properties of the particles are barely addressed. In this paper we consider a collection of polar SPPs moving at inhomogeneous speed (IS) on a two-dimensional substrate, which can arise due to varying physical strengths of the individual particles. To our surprise, the IS not only preserves the usual long-range ordering present in homogeneous speed models but also induces faster ordering in the system. Furthermore, the response of the flock to an external perturbation is also faster, compared to the Vicsek-like model systems, due to the frequent update of neighbors of each SPP in the presence of the IS. Therefore, our study shows that an IS can promote information transfer in a moving flock.

Haldane and dimer phases in a frustrated spin chain: an exact groundstate and associated topological phase transition.

A Heisenberg spin-s chain with alternating ferromagnetic (FM) ([Formula: see text]) and antiferromagnetic ([Formula: see text]) nearest-neighbor (NN) interactions, exhibits the dimer and spin-2s Haldane phases in the limits [Formula: see text] and [Formula: see text] respectively. These two phases are understood to be topologically equivalent. Induction of the frustration through the next NN FM interaction ([Formula: see text]) produces a very rich quantum phase diagram. With frustration, the whole phase diagram is divided into a FM and a nonmagnetic (NM) phase. For s = 1/2, the full NM phase is seen to be of Haldane-dimer type, but for s > 1/2, a spiral phase comes between the FM and the Haldane-dimer phases. The study of a suitably defined string-order parameter and spin-gap at the phase boundary indicates that the Haldane-dimer and spiral phases have different topological characters. We also find that, along the [Formula: see text] line in the NM phase, an NN dimer state is the exact groundstate, provided [Formula: see text] where κ ⩽ s + h for applied magnetic field h. Without magnetic field, the position of J C is on the FM-NM phase boundary when s = 1/2, but for s > 1/2, the location of J C is on the phase separation line between the Haldane-dimer and spiral phases.

Nonquenched rotators ease flocking and memorize it.

We introduce a minimal model for a two-dimensional polar flock with nonquenched rotators and show that the rotators make the usual macroscopic long-range order of the flock more robust than the clean system. The rotators memorize the flock-information which helps in establishing the robustness. Moreover, the memory of the rotators assists in probing the moving flock. We also formulate a hydrodynamic framework for the microscopic model that makes our study comprehensive. Using linearized hydrodynamics, it is shown that the presence of such nonquenched heterogeneities increases the sound speeds of the flock. The enhanced sound speeds lead to faster convection of information and consequently the robust ordering in the system. We argue that similar nonquenched heterogeneities may be useful in monitoring and controlling large crowds.

Enhanced dynamics of active Brownian particles in periodic obstacle arrays and corrugated channels.

We study the motion of an active Brownian particle (ABP) using the overdamped Langevin dynamics on a two-dimensional substrate with periodic array of obstacles and in a quasi-one-dimensional corrugated channel comprised of periodically arrayed obstacles. The periodic arrangement of the obstacles enhances the persistent motion of the ABP in comparison to its motion in the free space. Persistent motion increases with the activity of the ABP. We note that the periodic arrangement induces directionality in ABP motion at late time, and it increases with the size of the obstacles. We also note that the ABP exhibits a super-diffusive dynamics in the corrugated channel. The transport property is independent of the shape of the channel; rather it depends on the packing fraction of the obstacles in the system. However, the ABP shows the usual diffusive dynamics in the quasi-one-dimensional channel with flat boundary.

Order-disorder transition in active nematic: A lattice model study.

We introduce a lattice model for active nematic composed of self-propelled apolar particles, study its different ordering states in the density-temperature parameter space, and compare with the corresponding equilibrium model. The active particles interact with their neighbours within the framework of the Lebwohl-Lasher model, and move anisotropically along their orientation to an unoccupied nearest neighbour lattice site. An interplay of the activity, thermal fluctuations and density gives rise distinct states in the system. For a fixed temperature, the active nematic shows a disordered isotropic state, a locally ordered inhomogeneous mixed state, and bistability between the inhomogeneous mixed and a homogeneous globally ordered state in different density regime. In the low temperature regime, the isotropic to the inhomogeneous mixed state transition occurs with a jump in the order parameter at a density less than the corresponding equilibrium disorder-order transition density. Our analytical calculations justify the shift in the transition density and the jump in the order parameter. We construct the phase diagram of the active nematic in the density-temperature plane.

Microwave assisted synthesis of phenanthridinones and dihydrophenanthridines by vasicine/KOtBu promoted intramolecular C-H arylation.

A simple, efficient, rapid and transition metal-free methodology has been developed by utilizing vasicine (a natural product), as a catalyst for the synthesis of phenanthridinones and dihydrophenanthridines. The reaction proceeds through intramolecular C-H arylation with aryl halides in the presence of KOtBu as a base under microwave irradiation in sulfolane as a solvent. The reaction proceeds well with various aryl iodides, bromides and more remarkably with less reactive aryl chlorides for 15 minutes, providing the corresponding products in 45-90% yields.

Synthesis of tertiary arylamines: Lewis acid-catalyzed direct reductive N-alkylation of secondary amines with ketones through an alternative pathway.

We report herein a highly efficient, tin(ii)/PMHS catalyzed reductive N-alkylation of arylamines with ketones affording tertiary arylamines. A very wide substrate scope was observed for the current catalytic method as all six permutations of ketones/aldehydes/heterocyclic carbonyls and primary/secondary/heterocyclic amines were well tolerated, enabling access to secondary, tertiary and heterocyclic amines. The method is also convenient for the synthesis of N-substituted isoindolinones and phthalazinones via a tandem amination-amidation sequence. Mechanistic investigations revealed a carbocationic pathway instead of an ordinary direct reductive amination pathway.

Sustained Resistive Switching in a Single Cu:7,7,8,8-tetracyanoquinodimethane Nanowire: A Promising Material for Resistive Random Access Memory.

We report a new type of sustained and reversible unipolar resistive switching in a nanowire device made from a single strand of Cu:7,7,8,8-tetracyanoquinodimethane (Cu:TCNQ) nanowire (diameter <100 nm) that shows high ON/OFF ratio (~10(3)), low threshold voltage of switching (~3.5 V) and large cycling endurance (>10(3)). This indicates a promising material for high density resistive random access memory (ReRAM) device integration. Switching is observed in Cu:TCNQ single nanowire devices with two different electrode configuration: symmetric (C-Pt/Cu:TCNQ/C-Pt) and asymmetric (Cu/Cu:TCNQ/C-Pt), where contacts connecting the nanowire play an important role. This report also developed a method of separating out the electrode and material contributions in switching using metal-semiconductor-metal (MSM) device model along with a direct 4-probe resistivity measurement of the nanowire in the OFF as well as ON state. The device model was followed by a phenomenological model of current transport through the nanowire device which shows that lowering of potential barrier at the contacts likely occur due to formation of Cu filaments in the interface between nanowire and contact electrodes. We obtain quantitative agreement of numerically analyzed results with the experimental switching data.

Numerical study of incommensurate and decoupled phases of spin-1/2 chains with isotropic exchange J1, J2 between first and second neighbors.

The spin-1/2 chain with isotropic exchange J1, J2 > 0 between first and second neighbors is frustrated for either sign of J1 and has a singlet ground state (GS) for J1/J2 ⩾ -4. Its rich quantum phase diagram supports gapless, gapped, commensurate (C), incommensurate (IC) and other phases. Critical points J1/J2 are evaluated using exact diagonalization and density matrix renormalization group calculations. The wave vector qG of spin correlations is related to GS degeneracy and obtained as the peak of the spin structure factor S(q). Variable qG indicates IC phases in two J1/J2 intervals, [-4, - 1.24] and [0.44, 2], and a C-IC point at J1/J2 = 2. The decoupled C phase in [-1.24, 0.44] has constant qG = π/2, nondegenerate GS, and a lowest triplet state with broken spin density on sublattices of odd and even numbered sites. The lowest triplet and singlet excitations, E m and Eσ, are degenerate in finite systems at specific frustration J1/J2. Level crossing extrapolates in the thermodynamic limit to the same critical points as qG. The S(q) peak diverges at qG = π in the gapless phase with J1/J2 > 4.148 and quasi-long-range order (QLRO(π)). S(q) diverges at ±π/2 in the decoupled phase with QLRO(π/2), but is finite in gapped phases with finite-range correlations. Numerical results and field theory agree at small J2/J1 but disagree for the decoupled phase with weak exchange J1 between sublattices. Two related models are summarized: one has an exact gapless decoupled phase with QLRO(π/2) and no IC phases; the other has a single IC phase without a decoupled phase in between.

Level crossing, spin structure factor and quantum phases of the frustrated spin-1/2 chain with first and second neighbor exchange.

The spin-1/2 chain with isotropic Heisenberg exchange J1, J2 > 0 between first and second neighbors is frustrated for either sign of J1. Its quantum phase diagram has critical points at fixed J1/J2 between gapless phases with nondegenerate ground state (GS) and quasi-long-range order (QLRO) and gapped phases with doubly degenerate GS and spin correlation functions of finite range. In finite chains, exact diagonalization (ED) estimates critical points as level crossing of excited states. GS spin correlations enter in the spin structure factor S(q) that diverges at wave vector qm in QLRO(q(m)) phases with periodicity 2π/q(m) but remains finite in gapped phases. S(q(m)) is evaluated using ED and density matrix renormalization group (DMRG) calculations. Level crossing and the magnitude of S(q(m)) are independent and complementary probes of quantum phases, based respectively on excited and ground states. Both indicate a gapless QLRO(π/2) phase between -1.2 < J1/|J2| < 0.45. Numerical results and field theory agree well for quantum critical points at small frustration J2 but disagree in the sector of weak exchange J1 between Heisenberg antiferromagnetic chains on sublattices of odd and even-numbered sites.

Metal-free transfer hydrogenation of nitroarenes in water with vasicine: revelation of organocatalytic facet of an abundant alkaloid.

Vasicine, an abundantly available quinazoline alkaloid from the leaves of Adhatoda vasica, has been successfully employed for metal- and base-free reduction of nitroarenes to the corresponding anilines in water. The method is chemoselective and tolerates a wide range of reducible functional groups, such as ketones, nitriles, esters, halogens, and heterocyclic rings. Dinitroarenes reduced selectively to the corresponding nitroanilines under the present reaction conditions.

Nisin based stabilization of novel fruit and vegetable functional juices containing bacterial cellulose at ambient temperature.

The current study reports the preparation and stabilization of novel functional drinks based on fruit and vegetable juices incorporating bacterial cellulose from Acetobacter xylinum. Pineapple, musk melon, carrot, tomato, beet root and a blend juice containing 20 % each of carrot and tomato juice with 60 % beet root juice has been studied. These juices have been stabilized over a storage period of 90 days at 28 °C, by the use of nisin and maintaining a low pH circumventing the need for any chemical preservatives or refrigeration. Instrumental color values have been correlated with the pigment concentrations present in the fresh as well as stored juices. There was 36, 72 and 60 % loss of total carotenoids in the case of carrot, pineapple and musk melon juices respectively while the lycopene content remained unchanged after 90 days of storage. The betanin content decreased 37 % in the case of beetroot juice and 25 % in the case of beetroot juice blended with carrot and tomato juices. Sensory analysis has revealed a clear preference for the beetroot blended mixed juice.