arXiv subjects

Shiliang Li

Publications and source records attributed to Shiliang Li.

At least 55 records · Page 3Linked to original sources

arXiv2022

Nematic fluctuations in the non-superconducting iron pnictide BaFe$_{1.9-x}$Ni$_{0.1}$Cr$_{x}$As$_{2}$

The main driven force of the electronic nematic phase in iron-based superconductors is still under debate. Here, we report a comprehensive study on the nematic fluctuations in a non-superconducting iron pnictide system BaFe$_{1.9-x}$Ni$_{0.1}$Cr$_{x}$As$_{2}$ by electronic transport, angle-resolved photoemission spectroscopy (ARPES) and inelastic neutron scattering (INS) measurements. Previous neutron diffraction and transport measurements suggested that the collinear antiferromagnetism persists to $x=0.8$, with similar Néel temperature $T_N$ and structural transition temperature $T_s$ around 32 K, but the charge carriers change from electron type to hole type around $x=$ 0.5. In this study, we have found that the in-plane resistivity anisotropy also highly depends on the Cr dopings and the type of charge carriers. While ARPES measurements suggest possibly weak orbital anisotropy onset near $T_s$ for both $x=0.05$ and $x=0.5$ compounds, INS experiments reveal clearly different onset temperatures of low-energy spin excitation anisotropy, which is likely related to the energy scale of spin nematicity. These results suggest that the interplay between the local spins on Fe atoms and the itinerant electrons on Fermi surfaces is crucial to the nematic fluctuations of iron pnictides, where the orbital degree of freedom may behave differently from the spin degree of freedom, and the transport properties are intimately related to the spin dynamics.

cond-mat.supr-con↗

arXiv2022

Possible Dirac quantum spin liquid in a kagome quantum antiferromagnet YCu$_3$(OH)$_6$Br$_2$[Br$_{x}$(OH)$_{1-x}$]

We studied the magnetic properties of YCu$_3$(OH)$_6$Br$_2$[Br$_{1-x}$(OH)$_{x}$] ($x$ = 0.33), where Cu$^{2+}$ ions form two-dimensional kagome layers. There is no magnetic order down to 50 mK while the Curie-Weiss temperature is on the order of -100 K. At zero magnetic field, the low-temperature specific heat shows a $T^2$ dependence. Above 2 T, a linear temperature dependence term in specific heat emerges, and the value of $γ= C/T$ increases linearly with the field. Furthermore, the magnetic susceptibility tends to a constant value at $T = 0$. Our results suggest that the magnetic ground state of YCu$_3$(OH)$_6$Br$_2$[Br$_{1-x}$(OH)$_{x}$] is consistent with a Dirac quantum-spin-liquid state with a linearly dispersing spinon strongly coupled to an emergent gauge field, which has long been theoretically proposed as a candidate ground state in the two-dimensional kagome Heisenberg antiferromagnetic system.

cond-mat.str-el↗

arXiv2022

Low-temperature specific-heat studies on two square-kagome antiferromagnets

We studied the low-temperature specific heats of two antiferromagnets with the two-dimensional square-kagome structure, i.e., KCu$_6$AlBiO$_4$(SO$_4$)$_5$Cl (KCu6) and Na$_6$Cu$_7$BiO$_4$(PO$_4$)$_4$[Cl,(OH)]$_3$ (NaCu7) with the structural differences that there are interlayer Cu$^{2+}$ ions in NaCu7. Both materials show no magnetic ordering down to 50 mK. At zero field, the $C/T$ of KCu6 has a finite value when the temperature is close to zero K. Under the magnetic field, a seemingly $T^2$ dependence appears and its coefficient is progressively suppressed by the field. For NaCu7, the specific heat exhibits the $T^2$ dependence at zero field and under fields. The ratio of the quadratic coefficients of KCu6 and NaCu7 at high fields is inversely proportional to ratio of the squared Weiss temperatures, which indicates these two compounds host the same ground state under fields. Our results suggest that the interlayer Cu$^{2+}$ ions in NaCu7 play a negligible role in determination of its ground state. We discuss the possible quantum-spin-liquid states in these compounds and further directions to pursue based our results.

cond-mat.str-el↗

arXiv2022

Preferred Spin Excitations in the Bilayer Iron-Based Superconductor CaK(Fe$_{0.96}$Ni$_{0.04}$)$_4$As$_4$ with Spin-Vortex Crystal Order

The spin-orbit coupling (SOC) is a key to understand the magnetically driven superconductivity in iron-based superconductors, where both local and itinerant electrons are present and the orbital angular momentum is not completely quenched. Here, we report a neutron scattering study on the bilayer compound CaK(Fe$_{0.96}$Ni$_{0.04}$)$_4$As$_4$ with superconductivity coexisting with a non-collinear spin-vortex crystal magnetic order that preserves the tetragonal symmetry of Fe-Fe plane. In the superconducting state, two spin resonance modes with odd and even $L$ symmetries due to the bilayer coupling are found similar to the undoped compound CaKFe$_4$As$_4$ but at lower energies. Polarization analysis reveals that the odd mode is $c-$axis polarized, and the low-energy spin anisotropy can persist to the paramagnetic phase at high temperature, which closely resembles other systems with in-plane collinear and $c-$axis biaxial magnetic orders. These results provide the missing piece of the puzzle on the SOC effect in iron-pnictide superconductors, and also establish a common picture of $c-$axis preferred magnetic excitations below $T_c$ regardless of the details of magnetic pattern or lattice symmetry.

cond-mat.supr-con↗

arXiv2022

Superconductive materials with MgB2-like structures from data-driven screening

Finding viable superconducting materials is of interest to the physics community as the superconductors are the playground to manifest many appealing quantum phenomena. This work exemplifies an end-to-end materials discovery towards novel MgB2-like superconductors, starting from the data-driven compound screening all the way to the experimental materialization. In addition to the known superconducting compounds, CaB2 (Tc = 9.4 ~ 28.6 K), SrGa2 (Tc = 0.1 ~ 2.4 K), BaGa2 (Tc = 0.3 ~ 3.3 K), BaAu2 (Tc = 0.0 ~ 0.5 K), and LaCu2 (Tc = 0.1 ~ 2.2 K) are newly discovered, out of ~182,000 starting structures, to be the most promising superconducting compounds that share similar atomic structures with MgB2. Moreover, BaGa2 is experimentally synthesized and measured to confirm that the compound is a BCS superconductor with Tc = 0.36 K, in good agreement with our theoretical predictions. This work provides a "once and for all" study for the MgB2-like superconductors and showcases that it is feasible to discover new materials via a data-driven approach.

cond-mat.supr-con↗

arXiv2022

Neutron-diffraction and linear {Grüneisen} parameter studies of magnetism in NdFe$_2$Ga$_8$

We study the magnetism in NdFe$_2$Ga$_8$ by the neutron-diffraction and temperature-modulated linear {Grüneisen} parameter measurements. Previous thermodynamical measurements have demonstrated that there are two magnetic transitions at 10 and 14.5 K, respectively. Neutron-diffraction measurements confirm that the lower one is an antiferromagnetic (AFM) transition with a commensurate magnetic structure. Both the commensurate and the incommensurate (IC) magnetic peaks are found below the higher transition but their intensities only gradually increase with decreasing temperature. Below 10 K, the commensurate peak intensity increases quickly with decreasing temperature, signaling the AFM transition, while the IC peak intensity disappears below 5 K. The linear {Grüneisen} parameter along the $c$ axis, $Γ_c$, shows a hysteresis behavior that is different from the hysteresis behavior for the magnetization $M$. We give a discussion of the origin of the magnetism in NdFe$_2$Ga$_8$.

cond-mat.str-el↗

arXiv2022

Ultrafast Optical Spectroscopy Evidence of Pseudogap and Electron-Phonon Coupling in an Iron-Based Superconductor KCa$_2$Fe$_4$As$_4$F$_2$

We use ultrafast optical spectroscopy to study the nonequilibrium quasiparticle relaxation dynamics of the iron-based superconductor KCa$_2$Fe$_4$As$_4$F$_2$ with $T_c=33.5$ K. Our results reveal a possible pseudogap ($Δ_{PG}$ = 2.4 $\pm$ 0.1 meV) below $T^*\approx 50$ K but prior to the opening of a superconducting gap ($Δ_{SC}$(0) $\approx$ 4.3 $\pm$ 0.1 meV). Measurements under high pump fluence real two distinct, coherent phonon oscillations with 1.95 and 5.51 THz frequencies, respectively. The high-frequency $A_{1g}$(2) mode corresponds to the $c-$axis polarized vibrations of FeAs planes with a nominal electron-phonon coupling constant $λ_{A_{1g}(2)}$ = 0.194 $\pm$ 0.02. Our findings suggest that the pseudogap is likely a precursor of superconductivity, and the electron-phonon coupling may play an essential role in the superconducting pairing in KCa$_2$Fe$_4$As$_4$F$_2$.

cond-mat.supr-con↗

arXiv2021

Local evidence for collective spin excitations in the distorted kagome antiferromagnet Pr$_3$BWO$_9$

We report the local probe investigation of a frustrated antiferromagnet Pr$_3$BWO$_9$ with the distorted kagome lattice. Absence of magnetic order or spin freezing is indicated by the spectral analysis down to 0.3 K and specific heat measurements down to 0.09 K. The Knight shifts show an upturn behavior with the sample cooling down, which is further suppressed by external field. For the spin dynamics, gapped spin excitation is observed from the temperature dependence of spin-lattice relaxation rates, with the gap size proportional to the applied magnetic field intensity. Comparatively, an unexpected sharp peak is observed in the nuclear spin-spin relaxation rate data at $T^*\sim 4-5$ K. These results indicate an unconventional persistent fluctuating paramagnetic ground state with antiferromagnetic collective spin excitations in the strongly frustrated spin system.

cond-mat.str-el↗

arXiv2021

Deep Learning Model of Dock by Dock Process Significantly Accelerate the Process of Docking-based Virtual Screening

Docking-based virtual screening (VS process) selects ligands with potential pharmacological activities from millions of molecules using computational docking methods, which greatly could reduce the number of compounds for experimental screening, shorten the research period and save the research cost. Howerver, a majority of compouds with low docking scores could waste most of the computational resources. Herein, we report a novel and practical docking-based machine learning method called MLDDM (Machince Learning Docking-by-Docking Models). It is composed of a regression model and a classification model that simulates a classical docking by docking protocol ususally applied in many virtual screening projects. MLDDM could quickly eliminate compounds with low docking scores and the retained compounds with potential high docking scores would be examined for further real docking program. We demonstrated that MLDDM has a good ability to identify active compounds in the case studies for 10 specific protein targets. Compared to pure docking by docking based VS protocol, the VS process with MLDDM can achieve an over 120 times speed increment on average and the consistency rate with corresponding docking by docking VS protocol is above 0.8. Therefore, it would be promising to be used for examing ultra-large compound libraries in the current big data era.

q-bio.QM↗

arXiv2021

Nonlocal effects of low-energy excitations in quantum-spin-liquid candidate Cu$_3$Zn(OH)$_6$FBr

We systematically study the low-temperature specific heats for the two-dimensional kagome antiferromagnet, Cu$_{3}$Zn(OH)$_6$FBr. The specific heat exhibits a $T^{1.7}$ dependence at low temperatures and a shoulder-like feature above it. We construct a microscopic lattice model of $Z_2$ quantum spin liquid and perform large-scale quantum Monte Carlo simulations to show that the above behaviors come from the contributions from gapped anyons and magnetic impurities. Surprisingly, we find the entropy associated with the shoulder decreases quickly with grain size $d$, although the system is paramagnetic to the lowest temperature. While this can be simply explained by a core-shell picture in that the contribution from the interior state disappears near the surface, the 5.9-nm shell width precludes any trivial explanations. Such a large length scale signifies the coherence length of the nonlocality of the quantum entangled excitations in quantum spin liquid candidate, similar to Pippard's coherence length in superconductors. Our approach therefore offers a new experimental probe of the intangible quantum state of matter with topological order.

cond-mat.str-el↗

arXiv2021

Evidences for the random singlet phase in a new honeycomb iridate SrIr$_2$O$_{6-δ}$

Strong spin-orbital-coupling magnetic systems with the honeycomb structure can provide bond-directional interactions which may result in Kitaev quantum spin liquids and exotic anyonic excitations. However, one of the key ingredients in real materials$-$disorders$-$has been much less studied in Kitaev systems. Here we synthesized a trigonal SrIr$_2$O$_{6-δ}$ with $δ\approx 0.25$, which consists of two-dimensional honeycomb Ir planes with edge-sharing IrO$_6$ octahedra. First-principles computation and experimental measurements suggest that the electronic system is gapped, and there should be no magnetic moment as the Ir$^{5+}$ ion has no unpaired electrons. However, significant magnetism has been observed in the material, and it can be attributed to disorders that are most likely from oxygen vacancies. No magnetic order is found down to 0.05 K, and the low-temperature magnetic properties exhibit power-law behaviors in magnetic susceptibility and zero-field specific heat, and a single-parameter scaling of the specific heat under magnetic fields. These results provide strong evidence for the existence of the random singlet phase in SrIr$_2$O$_{6-δ}$, which offers a different member to the family of spin-orbital entangled iridates and Kitaev materials.

cond-mat.str-el↗

arXiv2021

Hidden Frustration in Double-Perovskite CaFeTi$_2$O$_6$

We study the magnetic properties of CaFeTi$_2$O$_6$ (CFTO) by high-field magnetization and specific heat measurements. While the magnetic susceptibility data yield a vanishingly small Curie-Weiss temperature, the magnetic moments are not fully polarized in magnetic field up to 60 T, which reveals a large spin exchange energy scale. Yet, the system shows no long range magnetic order but a spin-glass-like state below 5.5 K in zero field, indicating strong magnetic frustration in this system. Applying magnetic field gradually suppresses the spin-glass-like state and gives rise to a potential quantum spin liquid state whose low-temperature specific heat exhibits a $T^{1.6}$ power-law. Crucially, conventional mechanisms for frustration do not apply to this system as it possesses neither apparent geometrical frustration nor exchange frustration. We suggest that the orbital modulation of exchange interaction is likely the source of hidden frustration in CFTO, and its full characterization may open a new route in the quest for quantum spin liquids.

cond-mat.str-el↗

arXiv2021

Common ($π$,$π$) Band Folding and Surface Reconstruction in FeAs-Based Superconductors

High resolution angle-resolved photoemission spectroscopy (ARPES) measurements are carried out on CaKFe$_4$As$_4$, KCa$_2$Fe$_4$As$_4$F$_2$ and (Ba$_{0.6}$K$_{0.4}$)Fe$_2$As$_2$ superconductors. Clear evidence of band folding between the Brillouin zone center and corners with a ($π$,$π$) wave vector has been found from the measured Fermi surface and band structures in all the three kinds of superconductors. A dominant $\sqrt{2}\,\times\,\sqrt{2}$ surface reconstruction is observed on the cleaved surface of CaKFe$_4$As$_4$ by scanning tunneling microscopy (STM) measurements. We propose that the commonly observed $\sqrt{2}\,\times\,\sqrt{2}$ reconstruction in the FeAs-based superconductors provides a general scenario to understand the origin of the ($π$,$π$) band folding. Our observations provide new insights in understanding the electronic structure and superconductivity mechanism in iron-based superconductors.

cond-mat.supr-con↗

arXiv2021

Friedel Oscillations of Vortex Bound States Under Extreme Quantum Limit in KCa2Fe4As4F2

We report the observation of discrete vortex bound states with the energy levels deviating from the widely believed ratio of 1:3:5 in the vortices of an iron based superconductor KCa2Fe4As4F2 through scanning tunneling microcopy (STM). Meanwhile Friedel oscillations of vortex bound states are also observed for the first time in related vortices. By doing self-consistent calculations of Bogoliubov-de Gennes equations, we find that at extreme quantum limit, the superconducting order parameter exhibits a Friedel-like oscillation, which modifies the energy levels of the vortex bound states and explains why it deviates from the ratio of 1:3:5. The observed Friedel oscillations of the bound states can also be roughly interpreted by the theoretical calculations, however some features at high energies could not be explained. We attribute this discrepancy to the high energy bound states with the influence of nearby impurities. Our combined STM measurement and the self-consistent calculations illustrate a generalized feature of the vortex bound states in type-II superconductors.

cond-mat.supr-con↗

arXiv2021

Single particle tunneling spectroscopy and superconducting gaps in layered iron based superconductor KCa$_{2}$Fe$_{4}$As$_{4}$F$_{2}$

We perform scanning tunneling microscopy/spectroscopy study on the layered iron based superconductor KCa$_2$Fe$_4$As$_4$F$_2$ with a critical temperature of about 33.5 K. Two types of terminated surfaces are generally observed after cleaving the samples in vacuum. On one commonly obtained surface, we observe a full gap feature with energy gap values close to 4.6 meV. This type of spectrum shows a clean and uniform full gap in space, which indicates the absence of gap nodes in this superconductor. Quasiparticle interference patterns have also been measured, which show no scattering patterns between the hole and tiny electron pockets, but rather an intra-band scattering pattern is observed possibly due to the hole-like $α$ pocket. The Fermi energy of this band is only about $24\pm6$ meV as derived from the energy dispersion result. Meanwhile, impurity induced bound-state peaks can be observed at about $\pm2.2$ meV on some spectra, and the peak value seems to be independent to magnetic field. On the second type of surface which is rarely obtained, the fully gapped feature can still be observed on the tunneling spectra, although multiple gaps are obtained either from a single spectrum or separate ones, and the gap values determined from coherence peaks locate mainly in the range from 4 to 8 meV. Our results clearly indicate multiple and nodeless superconducting gap nature in this layered superconductor KCa$_2$Fe$_4$As$_4$F$_2$, and the superfluid is mainly contributed by the hole-like Fermi surfaces near $Γ$ point. This would inspire further consideration on the effect of the shallow and incipient bands near M point, and help to understand the pairing mechanism in this highly layered iron-based superconductor.

cond-mat.supr-con↗

arXiv2021

Extreme Suppression of Antiferromagnetic Order and Critical Scaling in a Two-Dimensional Random Quantum Magnet

Sr$_2$CuTeO$_6$ is a square-lattice Néel antiferromagnet with superexchange between first-neighbor $S=1/2$ Cu spins mediated by plaquette centered Te ions. Substituting Te by W, the affected impurity plaquettes have predominantly second-neighbor interactions, thus causing local magnetic frustration. Here we report a study of Sr$_2$CuTe$_{1-x}$W$_x$O$_6$ using neutron diffraction and $μ$SR techniques, showing that the Néel order vanishes already at $x = 0.025 \pm 0.005$. We explain this extreme order suppression using a two-dimensional Heisenberg spin model, demonstrating that a W-type impurity induces a deformation of the order parameter that decays with distance as $1/r^2$ at temperature $T=0$. The associated logarithmic singularity leads to loss of order for any $x>0$. Order for small $x>0$ and $T>0$ is induced by weak interplane couplings. In the nonmagnetic phase of Sr$_2$CuTe$_{1-x}$W$_x$O$_6$, the $μ$SR relaxation rate exhibits quantum critical scaling with a large dynamic exponent, $z \approx 3$, consistent with a random-singlet state.

cond-mat.str-el↗

arXiv2020

A temperature-modulated dilatometer by using a piezobender-based device

We report a new design of temperature-modulated dilatometer, which obtains the linear thermal expansion coefficient by measuring the oscillating changes of the sample's length and temperature by a piezobender and a thermocouple, respectively. Using an iron-based superconductor KFe$_2$As$_2$ as an example, we show that this device is able to measure thin samples with high resolutions at low temperatures and high magnetic fields. Despite its incapability of giving absolute values, the new dilatometer provides a high-resolution method to study many important physical properties in condensed matter physics, such as thermal and quantum phase transitions, and vortex dynamics in the superconducting state. The prototype design of this device can be further improved in many aspects to meet particular requirements.

physics.ins-det↗

arXiv2020

Evidence for the topological order in a kagome antiferromagnet

A Z2 quantum spin liquid hosts one of the simplest topological orders and exhibits many exotic properties due to long-range quantum entanglements. Its elementary excitations are anyons such as spinons carrying fractionalized spin quantum number and visons carrying emergent Z2 gauge flux. However, experimental detection of these anyons remains elusive. The difficulties lie not only in the fact that there exists few candidates for Z2 quantum spin liquids but also in that visons are magnetically inert hence immune to available experimental techniques. Here we have studied the spin excitations and specific heats of kagome-lattice antiferromagnet Cu$_4$(OH)$_6$FBr and Cu$_3$Zn(OH)$_6$FBr, which consists of two-dimensional Cu$^{2+}$ kagome layers with either Cu$^{2+}$ or Zn$^{2+}$ ions in between. By combining the first principle calculations and inelastic neutron scattering data in the former, we show that the dominate couplings in Cu$_4$(OH)$_6$FBr are between the nearest neighbor spins within the kagome planes, and the kagome and interlayer spin systems are essentially decoupled above the antiferromagnetic transition temperature. The intrinsic spin excitations and specific heats of the kagome layers for Cu$_3$Zn(OH)$_6$FBr are thus derived by removing the contributions from the residual interlayer Cu$^{2+}$ magnetic impurities. Accordingly, the kagome spin system exhibits spin continuum with momentum-dependent spin gap and a large magnetic entropy at low temperature that is insensitive to magnetic field, which can be understood as the evidences of spinons and visons in this kagome quantum spin liquid candidate. Our results suggest the existence of the Z2 anyons in the material, and therefore provide a comprehensive set of evidences for the Z2 topological order in kagome quantum spin liquid and bring their choreographed entanglement dances to the stage of real materials.

cond-mat.str-el↗