Gapless Behavior Research Articles

A first-principle study on the two dimensional Janus MXene TaFeC with spin gapless behaviour

Based on density functional theory calculations, we have investigated the two-dimensional Janus MXene TaFeC, focusing particularly on the magnetic and electronic properties. It is found TaFeC is dynamically, mechanically, and thermodynamically stable. With both sizable Curie temperature and enhanced out-off plane magneto-crystalline anisotropy energy, the Janus MXene TaFeC has the potential to be applied at finite temperature. The mechanism behind the magneto-crystalline anisotropy energy and magnetism are explained based on perturbation theory and crystal field splitting, respectively. Under biaxial strain, the ferromagnetic order is robust stable. With a various of effective potential on Fe, the electronic structure evolution is studied, where the effective potential of 1.3 eV is a special case. In such case, the Janus MXene TaFeC can be classified as a new type of spin-gapless semiconductor beyond the previous classifications, behaving topological nontrivial edge states.

Manipulation of band gap in 1T-TiSe2 via rubidium deposition

Abstract The 1T-TiSe2 is a two-dimensional charge-density-wave (CDW) material that attracts great interest. A small band gap locates at the Fermi level separating the Ti d-bands and Se p-bands, which makes 1T-TiSe2 a promising candidate for realizing excitonic condensation. Here, we studied the band gap in 1T-TiSe2 using angle-resolved photoemission spectroscopy (ARPES). Instead of only focusing on the in-plane band dispersions, we obtained the detailed band dispersions of both conduction and valance bands along the out-of-plane direction. We found that the conduction and valance bands split into multiple sub-bands in the CDW state due to band folding. As a result, the band gap between the Ti d-bands and Se p-bands reduces to ∼25 meV and becomes a direct gap in the CDW state. More intriguingly, such band gap can be further reduced by the rubidium deposition. The band structure becomes semimetallic in the rubidium-doped sample. Meanwhile, exotic gapless behaviors were observed at the p–d band crossing. Our result characterized the band gap of 1T-TiSe2 in three-dimensional Brillouin zone with unpreceded precision. It also suggests a closing of band gap or a potential band inversion in 1T-TiSe2 driven by rubidium deposition.

Gapless linear dispersion in Bi2Se3 nanoparticles for high-performance broadband photodetectors

Topological insulators have demonstrated novel optoelectronic properties owing to their gapless linear dispersion and robust surface states. In this study, we implemented high-performance broadband photodetectors based on mixed-dimensional heterostructure of the topological insulator Bi2Se3 nanoparticles (NPs) with the semiconductor WSe2. Prominently, the Bi2Se3 NPs/WSe2 structure exhibited photoresponsivity of 22.17 A/W in the visible (Vis) wavelengths, and 5 A/W in the near-infrared (NIR) wavelengths and a fast response time of 40 μs. In comparison with typical semiconducting PbS NPs/WSe2 structure, we confirmed that the enhancement in the photoresponsivity, response time, and broadband photoresponse of the Bi2Se3 NPs/WSe2 structure can be attributed to the gapless behavior in surface states of topological insulator materials. Numerical simulations also confirmed a dramatic increase in the interfacial electric field by two orders of magnitude, resulting from the surface states in topological insulator NPs. The observed experimental results and the proposed mechanism pave the way for the emergence of efficient optoelectronic devices based on topological insulator materials.

On the topological surface states of the intrinsic magnetic topological insulator Mn-Bi-Te family.

We review recent progress in the electronic structure study of intrinsic magnetic topological insulators (MnBi2Te4) · (Bi2Te3)n ([Formula: see text]) family. Specifically, we focus on the ubiquitously (nearly) gapless behavior of the topological Dirac surface state observed by photoemission spectroscopy, even though a large Dirac gap is expected because of surface ferromagnetic order. The dichotomy between experiment and theory concerning this gap behavior is perhaps the most critical and puzzling question in this frontier. We discuss various proposals accounting for the lack of magnetic effect on the topological Dirac surface state, which are mainly categorized into two pictures, magnetic reconfiguration and topological surface state redistribution. Band engineering towards opening a magnetic gap of topological surface states provides great opportunities to realize quantized topological transport and axion electrodynamics at higher temperatures.

Ideal acoustic quantum spin Hall phase in a multi-topology platform

Fermionic time-reversal symmetry ({T}_{f})-protected quantum spin Hall (QSH) materials feature gapless helical edge states when adjacent to arbitrary trivial cladding materials. However, due to symmetry reduction at the boundary, bosonic counterparts usually exhibit gaps and thus require additional cladding crystals to maintain robustness, limiting their applications. In this study, we demonstrate an ideal acoustic QSH with gapless behaviour by constructing a global Tf on both the bulk and the boundary based on bilayer structures. Consequently, a pair of helical edge states robustly winds several times in the first Brillouin zone when coupled to resonators, promising broadband topological slow waves. We further reveal that this ideal QSH phase behaves as a topological phase transition plane that bridges trivial and higher-order phases. Our versatile multi-topology platform sheds light on compact topological slow-wave and lasing devices.

Gapless spin liquid behavior in a kagome Heisenberg antiferromagnet with randomly distributed hexagons of alternate bonds

We demonstrate that the new single crystal of YCu$_3$[OH(D)]$_{6.5}$Br$_{2.5}$ (YCOB) is a kagome Heisenberg antiferromagnet (KHA) without evident orphan spins ($\ll$ 0.8\%). The site mixing between polar OH$^-$ and non-polar Br$^-$ causes local distortions of Cu-O-Cu exchange paths, and gives rise to 70(2)\% of randomly distributed hexagons of alternate bonds ($\sim$ $J_1-\Delta J$ and $J_1+\Delta J$) and the rest of almost uniform hexagons ($\sim$ $J_1$) on the kagome lattice. Simulations of the random exchange model with $\Delta J$/$J_1$ = 0.7(1) show good agreement with the experimental observations, including the weak upturn seen in susceptibility and the slight polarization in magnetization. Despite the average antiferromagnetic coupling of $J_1$ $\sim$ 60 K, no conventional freezing is observed down to $T$ $\sim$ 0.001$J_1$, and the raw specific heat exhibits a nearly quadratic temperature dependence below 1 K $\sim$ 0.02$J_1$, phenomenologically consistent with a gapless (spin gap $\leq$ 0.025$J_1$) Dirac quantum spin liquid (QSL). Our result sheds new light on the theoretical understanding of the randomness-relevant gapless QSL behavior in YCOB, as well as in other relevant materials.

A Discrepancy in Thermal Conductivity Measurement Data of Quantum Spin Liquid β′-EtMe3Sb[Pd(dmit)2]2 (dmit = 1,3-Dithiol-2-thione-4,5-dithiolate)

A molecular Mott insulator β′-EtMe3Sb[Pd(dmit)2]2 is a quantum spin liquid candidate. In 2010, it was reported that thermal conductivity of β′-EtMe3Sb[Pd(dmit)2]2 is characterized by its large value and gapless behavior (a finite temperature-linear term). In 2019, however, two other research groups reported opposite data (much smaller value and a vanishingly small temperature-linear term) and the discrepancy in the thermal conductivity measurement data emerges as a serious problem concerning the ground state of the quantum spin liquid. Recently, the cooling rate was proposed to be an origin of the discrepancy. We examined effects of the cooling rate on electrical resistivity, low-temperature crystal structure, and 13C-NMR measurements and could not find any significant cooling rate dependence.

Effective Lagrangian for Nambu-Goldstone modes in nonequilibrium open systems

We develop the effective field theory of diffusive Nambu-Goldstone (NG) modes associated with spontaneous internal symmetry breaking taking place in nonequilibrium open systems. The effective Lagrangian describing semi-classical dynamics of the NG modes is derived and matching conditions for low-energy coefficients are also investigated. Due to new terms peculiar to open systems, the associated NG modes show diffusive gapless behaviors in contrast to the propagating NG mode in closed systems. We demonstrate two typical situations relevant to the condensed matter physics and high-energy physics, where diffusive type-A or type-B NG modes appear.

High-Tc Superconductivity within t - t'- J - J' Model

) interactions on the charge gap, spin gap and effective exchange interaction has been investigated. Charge gap shows a gapped behavior. Spin gap curves establish a gapless behavior at small

Hybridization-induced gapped and gapless states on the surface of magnetic topological insulators

The layered MnBi2nTe3n+1 family represents the first intrinsic antiferromagnetic topological insulator (AFM TI, protected by a combination symmetry ) ever discovered, providing an ideal platform to explore novel physics such as quantum anomalous Hall effect at elevated temperature and axion electrodynamics. Recent angle-resolved photoemission spectroscopy (ARPES) experiments on this family have revealed that all terminations exhibit (nearly) gapless topological surface states (TSSs) within the AFM state, violating the definition of the AFM TI, as the surfaces being studied should be -breaking and opening a gap. Here we explain this curious paradox using a surface-bulk band hybridization picture. Combining ARPES and first-principles calculations, we prove that only an apparent gap is opened by hybridization between TSSs and bulk bands. The observed (nearly) gapless features are consistently reproduced by tight-binding simulations where TSSs are coupled to a Rashba-split bulk band. The Dirac-cone-like spectral features are actually of bulk origin, thus not sensitive to the-breaking at the AFM surfaces. This picture explains the (nearly) gapless behaviour found in both Bi2Te3- and MnBi2Te4-terminated surfaces and is applicable to all terminations of MnBi2nTe3n+1 family. Our findings highlight the role of band hybridization, superior to magnetism in this case, in shaping the general surface band structure in magnetic topological materials for the first time.

Undecidability of the Spectral Gap in One Dimension

The spectral gap problem - determining whether the energy spectrum of a system has an energy gap above ground state, or if there is a continuous range of low-energy excitations - pervades quantum many-body physics. Recently, this important problem was shown to be undecidable for quantum spin systems in two (or more) spatial dimensions: there exists no algorithm that determines in general whether a system is gapped or gapless, a result which has many unexpected consequences for the physics of such systems. However, there are many indications that one dimensional spin systems are simpler than their higher-dimensional counterparts: for example, they cannot have thermal phase transitions or topological order, and there exist highly-effective numerical algorithms such as DMRG - and even provably polynomial-time ones - for gapped 1D systems, exploiting the fact that such systems obey an entropy area-law. Furthermore, the spectral gap undecidability construction crucially relied on aperiodic tilings, which are not possible in 1D. So does the spectral gap problem become decidable in 1D? In this paper we prove this is not the case, by constructing a family of 1D spin chains with translationally-invariant nearest neighbour interactions for which no algorithm can determine the presence of a spectral gap. This not only proves that the spectral gap of 1D systems is just as intractable as in higher dimensions, but also predicts the existence of qualitatively new types of complex physics in 1D spin chains. In particular, it implies there are 1D systems with constant spectral gap and non-degenerate classical ground state for all systems sizes up to an uncomputably large size, whereupon they switch to a gapless behaviour with dense spectrum.

Dirac Spin Liquid on the Spin-1/2 Triangular Heisenberg Antiferromagnet.

We study the spin liquid candidate of the spin-1/2 J_{1}-J_{2} Heisenberg antiferromagnet on the triangular lattice by means of density matrix renormalization group (DMRG) simulations. By applying an external Aharonov-Bohm flux insertion in an infinitely long cylinder, we find unambiguous evidence for gapless U(1) Dirac spin liquid behavior. The flux insertion overcomes the finite size restriction for energy gaps and clearly shows gapless behavior at the expected wave vectors. Using the DMRG transfer matrix, the low-lying excitation spectrum can be extracted, which shows characteristic Dirac cone structures of both spinon-bilinear and monopole excitations. Finally, we confirm that the entanglement entropy follows the predicted universal response under the flux insertion.

Robust Spin-Gapless Behavior in the Newly Discovered Half Heusler Compound MnPK.

Spin gapless semiconductors have aroused high research interest since their discovery and a lot of effort has been exerted on their exploration, in terms of both theoretical calculation and experimental verification. Among different spin gapless materials, Heusler compounds stand out thanks to their high Curie temperature and highly diverse compositions. Especially, both theoretical and experimental studies have reported the presence of spin gapless properties in this kind of material. Recently, a new class of d0 − d Dirac half Heusler compound was introduced by Davatolhagh et al. and Dirac, and spin gapless semiconductivity has been successfully predicted in MnPK. To further expand the research in this direction, we conducted a systematical investigation on the spin gapless behavior of MnPK with both generalized gradient approximation (GGA) and GGA + Hubbard U methods under both uniform and tetragonal strain conditions by first principles calculation. Results show the spin gapless behavior in this material as revealed previously. Different Hubbard U values have been considered and they mainly affect the band structure in the spin-down channel while the spin gapless feature in the spin-up direction is maintained. The obtained lattice constant is very well consistent with a previous study. More importantly, it is found that the spin gapless property of MnPK shows good resistance for both uniform and tetragonal strains, and this robustness is very rare in the reported studies and can be extremely interesting and practical for the final end application. This study elaborates the electronic and magnetic properties of the half Heusler compound MnPK under uniform and tetragonal strain conditions, and the obtained results can give a very valuable reference for related research works, or even further motivate the experimental synthesis of the relative material.

Exploring disorder in the spin gapless semiconductor Mn2CoAl

Since the prediction of spin gapless semiconducting behaviour in the Heusler compound Mn2CoAl, evidence of spin gapless behaviour in thin films has typically been inferred from magnetotransport measurements. The spin gapless state is however fragile, and further, band structure calculations indicate that even a small amount of atomic disorder may destroy it. To explore the impact of disorder on the properties of Mn2CoAl, we have undertaken an experimental study of the structural, magnetotransport and optical properties from the far infrared to the UV, on DC magnetron sputtered Mn2CoAl thin films. A very short mean free path, of the order of a lattice spacing, is extracted from the DC transport data. A room temperature resistivity of 200 μΩcm along with a small and negative temperature coefficient of resistance between 4 and 400 K was measured. We note that parameters of this magnitude are often observed in disordered metals. We find this behaviour is well described by a weak localisation model, a result that is supported by a large Drude contribution to the optical response, where a high scattering rate is derived, which is equal to the value derived from the DC conductivity and Hall effect data. We also note the strong similarities between the magnetotransport behaviour reported for Mn2CoAl films in the literature, including ours. We conclude that, based on comparisons between the experimental data, and recent band structure calculations that explicitly include disorder, as-prepared Mn2CoAl films are best described as a disordered metal, rather than a spin gapless semiconductor.

Randomness-Induced Quantum Spin Liquid Behavior in the s=1/2 Random-Bond Heisenberg Antiferromagnet on the Pyrochlore Lattice.

We investigate the zero- and finite-temperature properties of the random-bond s=1/2 Heisenberg antiferromagnet on the pyrochlore lattice by the exact diagonalization and the Hams-de Raedt methods. We find that the randomness induces the gapless quantum spin liquid (QSL) state, the random-singlet state. Implications to recent experiments on the mixed-anion pyrochlore-lattice antiferromagnet Lu_{2}Mo_{2}O_{5}N_{2} exhibiting gapless QSL behaviors are discussed.

Thermodynamic bootstrap program for integrable QFT\u2019s: form factors and correlation functions at finite energy density

We study the form factors of local operators of integrable QFT’s between states with finite energy density. These states arise, for example, at finite temperature, or from a generalized Gibbs ensemble. We generalize Smirnov’s form factor axioms, formulating them for a set of particle/hole excitations on top of the thermodynamic background, instead of the vacuum. We show that exact form factors can be found as minimal solutions of these new axioms. The thermodynamic form factors can be used to construct correlation functions on thermodynamic states. The expression found for the two-point function is similar to the conjectured LeClair-Mussardo formula, but using the new form factors dressed by the thermodynamic background, and with all singularities properly regularized. We study the different infrared asymptotics of the thermal two-point function, and show there generally exist two different regimes, manifesting massive exponential decay, or effectively gapless behavior at long distances, respectively. As an example, we compute the few-excitations form factors of vertex operators for the sinh-Gordon model.

Gapped spin liquid with Z2 topological order for the kagome Heisenberg model

We apply symmetric tensor network state (TNS) to study the nearest neighbor spin-1/2 antiferromagnetic Heisenberg model on Kagome lattice. Our method keeps track of the global and gauge symmetries in TNS update procedure and in tensor renormalization group (TRG) calculation. We also introduce a very sensitive probe for the gap of the ground state -- the modular matrices, which can also determine the topological order if the ground state is gapped. We find that the ground state of Heisenberg model on Kagome lattice is a gapped spin liquid with the $\mathbb{Z}_2$-topological order (or toric code type), which has a long correlation length $\xi\sim 10$ unit cell length. We justify that the TRG method can handle very large systems with over thousands of spins. Such a long $\xi$ explains the gapless behaviors observed in simulations on smaller systems with less than 300 spins or shorter than 10 unit cell length. We also discuss experimental implications of the topological excitations encoded in our symmetric tensors.

Hybrid Fibrillar Xerogels with Unusual Magnetic Properties.

We report on the preparation of a hybrid nanomaterial made up of 1D filaments of an antiferromagnetic self-assembling bicopper complex encapsulated in polymer nanofibrils. The encapsulation process is achieved through the heterogeneous nucleation of the growth of polymer fibrils obtained by thermoreversible gelation as shown by calorimetry experiments. Neutron scattering experiments confirm that the filaments of a bicopper complex retain their 1D character after encapsulation in the fibrils. Superconducting quantum interference device experiments show that the bicopper complex, originally in the gapped spin state in the 3D bulk mesophase, displays a gapless behavior once encapsulated. Extended absorption fine structure and infrared results further highlight the difference in the molecular arrangement of the bicopper complex between the bulk mesophase and the encapsulated state, which may account for the magnetic behavior. This material, which is largely disordered, differs totally from the usual magnetic systems where this effect is observed only on highly crystalline systems with long-range order. Also, this hybrid material is very easy to prepare from its basic constituents and can be further processed in many ways.

ItinerantG-type antiferromagnetism inD03-typeV3Z(Z=Al, Ga, In) compounds: A first-principles study

Heusler compounds are widely studied due to their variety of magnetic properties making them ideal candidates for spintronic and magnetoelectronic applications. V$_3$Al in its metastable D0$_3$-type Heusler structure is a prototype for a rare antiferromagnetic gapless behavior. We provide an extensive study on the electronic and magnetic properties of V$_3$Al, V$_3$Ga and V$_3$In compounds based on state-of-the-art electronic structure calculations. We show that the ground state for all three is a G-type itinerant antiferromagnetic gapless semiconductor. The large antiferromagnetic exchange interactions lead to very high N\'eel temperatures, which are predicted to be around 1000 K. The coexistence of the gapless and antiferromagnetic behaviors in these compounds can be explained considering the simultaneous presence of three V atoms at the unit cell using arguments which have been employed for usual inverse Heusler compounds. We expect that our study on these compounds to enhance further the interest on them towards the optimization of their growth conditions and their eventual incorporation in devices.

Static and dynamical spin correlations of theS=12random-bond antiferromagnetic Heisenberg model on the triangular and kagome lattices

Inspired by the recent theoretical suggestion that the random-bond $S=1/2$ antiferromagnetic Heisenberg model on the triangular and the kagome lattices might exhibit a randomness-induced quantum spin liquid (QSL) behavior when the strength of the randomness exceeds a critical value, and that this "random-singlet state" might be relevant to the QSL behaviors experimentally observed in triangular organic salts $\kappa {\rm -(ET)_2 Cu_2 (CN)_3}$and ${\rm EtMe_3 Sb[Pd(dmit)_2]_2}$ and in kagome herbertsmithite ${\rm CuZn_3(OH)_6Cl_2}$, we further investigate the nature of the static and the dynamical spin correlations of these models. We compute the static and the dynamical spin structure factors, $S({\bf q})$ and $S({\bf q},\omega)$, by means of an exact diagonalization method. In both triangular and kagome models, the computed $S({\bf q},\omega)$ in the random-singlet state depends on the wavevector ${\bf q}$ only weakly, robustly exhibiting gapless behaviors accompnied by the broad distribution extending to higher energy $\omega$. Especially in the strongly random kagome model, $S({\bf q},\omega)$ hardly depends on ${\bf q}$, and exhibits an almost flat distribution for a wide range of $\omega$, together with a $\omega=0$ peak. These features agree semi-quantitatively with the recent neutron-scattering data on a single-crystal herbertsmithite, suggesting that the QSL state observed in herbersmithite might indeed be the randomness-induced QSL state, {\it i.e.\/}, the random-singlet state.