arXiv subjects

Y. Q. Cai

Publications and source records attributed to Y. Q. Cai.

17 recordsLinked to original sources

arXiv2025

Formation of Frustrated Charge Density Waves in Kagome Metal LuNb$_6$Sn$_6$

The charge density wave (CDW), a translational symmetry breaking electronic liquid, plays a pivotal role in correlated quantum materials, such as high-T$_c$ superconductors and topological semimetals. Recently, CDWs that possibly intertwine with superconductivity and magnetism are observed in various kagome metals. However, the nature of CDWs and the role of the Fermi surface (FS) topology in these materials remain an unresolved challenge. In this letter, we reveal the formation of CDWs in the newly discovered kagome metal LuNb$_6$Sn$_6$. We observe a precursor CDW correlation that features a "yield sign"-like hollow triangle diffuse scattering pattern and nearly complete softening of a flat optical phonon band near Q$_H$=(1/3, 1/3, 1/2). The scattering intensity of the precursor CDW displays divergent behavior as decreasing temperature until T$_{CDW}$=70 K, where a competing CDW at Q$_{CDW}$=(1/3, 1/3, 1/3) emerges. Using scanning tunneling microscopy/spectroscopy, we image the frustrated CDW patterns that show a short phase coherence length about ~20 nm in real space. Combined with first principles calculations, our observations support frustrated lattice interactions that are modulated by the FS topology. These results shed light on the interplay between FS and CDW in quantum materials with nearly degenerate structural deformation patterns.

cond-mat.str-el↗

arXiv2024

Charge Density Waves in the 2.5-Dimensional Quantum Heterostructure

Charge density wave (CDW) and their interplay with correlated and topological quantum states are forefront of condensed matter research. The 4$H_{b}$-TaS$_2$ is a CDW ordered quantum heterostructure that is formed by alternative stacking of Mott insulating 1T-TaS$_2$ and Ising superconducting 1H-TaS$_2$. While the $\sqrt{13}\times\sqrt{13}$ and 3$\times$3 CDWs have been respectively observed in the bulk 1T-TaS$_2$ and 2H-TaS$_2$, the CDWs and their pivotal role for unconventional superconductivity in the 4$H_{b}$-TaS$_2$ remain unsolved. In this letter, we reveal the 2-dimensional (2D) $\sqrt{13}\times\sqrt{13}$ chiral CDW in the 1T-layers and intra-unit cell coupled 2D 2$\times$2 CDW in the 1H and 1H' layers of 4$H_{b}$-TaS$_2$. Our results establish 4$H_{b}$-TaS$_2$ a novel 2.5D quantum heterostructure, where 2D quantum states emerge from 3D crystalline structure.

cond-mat.supr-con↗

arXiv2017

Mechanical Twinning in Phosphorene

We investigate the deformation and failure mechanisms of phosphorene sheet and nanoribbons under uniaxial tensile strain along the zigzag direction using the density functional tight-binding method. Surprisingly, twin-like deformation occurs homogenously across the phosphorene sheet, which significantly increases its failure strain. Vacancies within the sheet lead to the heterogeneous nucleation of twins at a lower critical strain which, subsequently, propagate across the entire sheet. Twin-like deformation always occurs heterogeneously in phosphorene nanoribbons (with or without vacancies). Propagation of the twins is interrupted by fracture which initiates along the ribbon edge. The underlying mechanism is bond breaking between the atoms within phosphorene puckers and simultaneous bond formation between the atoms in neighboring puckers. This unusual deformation behavior in phosphorene may be exploited in novel nano-electronic-mechanical applications.

cond-mat.mtrl-sci↗

arXiv2017

Slater Insulator in Iridate Perovskites with Strong Spin-Orbit Coupling

The perovskite SrIrO3 is an exotic narrow-band metal owing to a confluence of the strengths of the spin-orbit coupling (SOC) and the electron-electron correlations. It has been proposed that topological and magnetic insulating phases can be achieved by tuning the SOC, Hubbard interactions, and/or lattice symmetry. Here, we report that the substitution of nonmagnetic, isovalent Sn4+ for Ir4+ in the SrIr1-xSnxO3 perovskites synthesized under high pressure leads to a metal-insulator transition to an antiferromagnetic (AF) phase at TN > 225 K. The continuous change of the cell volume as detected by x-ray diffraction and the lamda-shape transition of the specific heat on cooling through TN demonstrate that the metal-insulator transition is of second-order. Neutron powder diffraction results indicate that the Sn substitution enlarges an octahedral-site distortion that reduces the SOC relative to the spin-spin exchange interaction and results in the type-G AF spin ordering below TN. Measurement of high-temperature magnetic susceptibility shows the evolution of magnetic coupling in the paramagnetic phase typical of weak itinerant-electron magnetism in the Sn-substituted samples. A reduced structural symmetry in the magnetically ordered phase leads to an electron gap opening at the Brillouin zone boundary below TN in the same way as proposed by Slater.

cond-mat.str-el↗

arXiv2015

The Frenkel Line: a direct experimental evidence for the new thermodynamic boundary

Supercritical fluids play a significant role in elucidating fundamental aspects of liquid matter under extreme conditions. They have been extensively studied at pressures and temperatures relevant to various industrial applications. However, much less is known about the structural behaviour of supercritical fluids and no structural crossovers have been observed in static compression experiments in any temperature and pressure ranges beyond the critical point. The structure of supercritical state is currently perceived to be uniform everywhere on the pressure-temperature phase diagram, and to change only in a monotonic way even moving around the critical point, not only along isotherms or isobars. Conversely, we observe structural crossovers for the first time in a deeply supercritical sample through diffraction measurements in a diamond anvil cell and discover a new thermodynamic boundary on the pressure-temperature diagram. We explain the existence of these crossovers in the framework of the phonon theory of liquids using molecular dynamics simulations. The obtained results are of prime importance since it implies a global reconsideration of the mere essence of the supercritical phase. Furthermore, this discovery may pave the way to new unexpected applications and to the exploration of exotic behaviour of confined fluids relevant to geo- and planetary sciences.

cond-mat.stat-mech↗

arXiv2015

Ultra high energy resolution focusing monochromator for inelastic X-ray scattering spectrometer

A further development of a focusing monochromator concept for X-ray energy resolution of 0.1 meV and below is presented. Theoretical analysis of several optical layouts based on this concept was supported by numerical simulations performed in the "Synchrotron Radiation Workshop" software package using the physical-optics approach and careful modeling of partially-coherent synchrotron (undulator) radiation. Along with the energy resolution, the spectral shape of the energy resolution function was investigated. It was shown that under certain conditions the decay of the resolution function tails can be faster than that of the Gaussian function.

physics.optics↗

arXiv2014

Strain-induced enhancement of the electron energy relaxation in strongly correlated superconductors

We use femtosecond optical spectroscopy to systematically measure the primary energy relaxation rate k1 of photoexcited carriers in cuprate and pnictide superconductors. We find that k1 increases monotonically with increased negative strain in the crystallographic a-axis. Generally, the Bardeen-Shockley deformation potential theorem and, specifically, pressure-induced Raman shifts reported in the literature suggest that increased negative strain enhances electron-phonon coupling, which implies that the observed direct correspondence between a and k1 is consistent with the canonical assignment of k1 to the electron-phonon interaction. The well-known non-monotonic dependence of the superconducting critical temperature Tc on the a-axis strain is also reflected in a systematic dependence Tc on k1, with a distinct maximum at intermediate values (~16 ps-1 at room temperature). The empirical non-monotonic systematic variation of Tc with the strength of the electron-phonon interaction provides us with unique insight into the role of electron-phonon interaction in relation to the mechanism of high-Tc superconductivity as a crossover phenomenon.

cond-mat.supr-con↗

arXiv2012

X-ray Raman Scattering of Water Near the Critical Point: Comparison of an Isotherm and Isochore

X-ray Raman spectra of liquid, sub- and super- critical water at the oxygen K-edge were measured, at densities 1.02 - 0.16 gcm^-3. Measurements were made along both an isotherm and an isochore passing near the critical point. As density is reduced there is a general tendency of the spectra to increasingly resemble that of the vapor phase, with, first, a well separated low-energy peak, and, eventually, at densities below the critical density, peaks appearing at higher energies corresponding to molecular transitions. The critical point itself is distinguished by a local maximum in the contrast between some of the spectroscopic features. The results are compared to computed X-ray absorption spectra of supercritical water.

physics.chem-ph↗

arXiv2012

Determining the in-plane orientation of the ground-state orbital of CeCu2Si2

We have successfully determined the hitherto unknown sign of the B44 Stevens crystal-field parameter of the tetragonal heavy-fermion compound CeCu2Si2 using vector q dependent non-resonant inelastic x-ray scattering (NIXS) experiments at the cerium N4,5 edge. The observed difference between the two different directions q||[100] and q||[110] is due to the anisotropy of the crystal-field ground state in the (001) plane and is observable only because of the utilization of higher than dipole transitions possible in NIXS. This approach allows us to go beyond the specific limitations of dc magnetic susceptibility, inelastic neutron scattering, and soft x-ray spectroscopy, and provides us with a reliable information about the orbital state of the 4f electrons relevant for the quantitative modeling of the quasi-particles and their interactions in heavy-fermion systems.

cond-mat.str-el↗

arXiv2010

Charge transfer in FeOCl intercalation compounds and its pressure dependence: An x-ray spectroscopic study

We present a study of charge transfer in Na-intercalated FeOCl and polyaniline-intercalated FeOCl using high-resolution x-ray absorption spectroscopy and resonant x-ray emission spectroscopy at the Fe-K edge. By comparing the experimental data with ab-initio simulations, we are able to unambiguously distinguish the spectral changes which appear due to intercalation into those of electronic origin and those of structural origin. For both systems, we find that about 25% of the Fe sites are reduced to Fe2+ via charge transfer between FeOCl and the intercalate. This is about twice as large as the Fe2+ fraction reported in studies using Mossbauer spectroscopy. This discrepancy is ascribed to the fact that the charge transfer occurs on the same time scale as the Mossbauer effect itself. Our result suggests that every intercalated atom or molecule is involved in the charge-transfer process, thus making this process a prerequisite for intercalation. The Fe2+ fraction is found to increase with pressure for polyaniline-FeOCl, hinting at an enhancement of the conductivity in the FeOCl intercalation compounds under pressure.

cond-mat.mtrl-sci↗

arXiv2010

Anomalous Angular Dependence of the Dynamic Structure Factor near Bragg Reflections: Graphite

The electron energy-loss function of graphite is studied for momentum transfers q beyond the first Brillouin zone. We find that near Bragg reflections the spectra can change drastically for very small variations in q. The effect is investigated by means of first principle calculations in the random phase approximation and confirmed by inelastic x-ray scattering measurements of the dynamic structure factor S(q,ω). We demonstrate that this effect is governed by crystal local field effects and the stacking of graphite. It is traced back to a strong coupling between excitations at small and large momentum transfers.

cond-mat.mtrl-sci↗

arXiv2010

Anisotropy of the superconducting state parameters and intrinsic pinning in low-level Pr-doped YBa2Cu3O(7-delta) single crystals

The influence of low-level Pr substitution in Y1-xPrxBa2Cu3O(7-delta) single crystals on the anisotropy of the superconducting state parameters was investigated by torque magnetometry in magnetic fields of up to 9 T. An averaged anisotropy parameter, γ, of 7.4 was found and no influence of the Pr ion concentration on γwas observed up to a Pr content of 2.4%. A pronounced maximum at angles between 0.5 and 1 degree out of the ab-plane was observed in all crystals in the irreversible angular dependence of the torque. This maximum is attributed to intrinsic pinning associated with kinked vortices. The variation of the irreversible torque with the substitution level indicates the influence of the Pr content on pinning within the CuO2 planes, even though the anisotropy of the superconducting state parameters is not affected.

cond-mat.supr-con↗

arXiv2009

Perfect spin-fillter and spin-valve in carbon atomic chains

We report ab initio calculations of spin-dependent transport in single atomic carbon chains bridging two zigzag graphene nanoribbon electrodes. Our calculations show that carbon atomic chains coupled to graphene electrodes are perfect spin-filters with almost 100 % spin polarization. Moreover, carbon atomic chains can also show a very large bias-dependent magnetoresistance up to 1000000 % as perfect spin-valves. These two spin-related properties are independent on the length of carbon chains. Our report, the spin-filter and spin-valve are conserved in a single device simultaneously, opens a new way to the application of all-carbon composite spintronics.

cond-mat.mtrl-sci↗

arXiv2009

High-resolution inelastic X-ray scattering studies of the state-resolved differential cross-section of Compton excitations in helium atoms

The state-resolved differential cross sections for both the 1s2 1S0 - 1s2s 1S0 monopolar transition and the 1s2 1S0 - 1s2p 1P1 dipolar transition of atomic helium have been measured over a large momentum transfer region by the high-resolution inelastic X-ray scattering (IXS) for the first time. The almost perfect match of the present measurement with the theoretical calculations gives a stringent test of the theoretical method and the calculated wavefunctions. Our results demonstrate that high-resolution IXS is a powerful tool for studying the excitations in atoms and molecules.

physics.atom-ph↗

arXiv2009

Influence of low-level Pr substitution on the superconducting properties of YBa2Cu3O7-delta single crystals

We report on measurements on Y1-xPrxBa2Cu3O7-delta single crystals, with x varying from 0 to 2.4%. The upper and the lower critical fields, Hc2 and Hc1, the Ginzburg-Landau parameter and the critical current density, Jc(B), were determined from magnetization measurements and the effective media approach scaling method. We present the influence of Pr substitution on the pinning force density as well as on the trapped field profiles analyzed by Hall probe scanning.

cond-mat.supr-con↗

arXiv2007

Inelastic X-Ray Scattering Study of Exciton Properties in an Organic Molecular crystal

Excitons in a complex organic molecular crystal were studied by inelastic x-ray scattering (IXS) for the first time. The dynamic dielectric response function is measured over a large momentum transfer region, from which an exciton dispersion of 130 meV is observed. Semiempirical quantum chemical calculations reproduce well the momentum dependence of the measured dynamic dielectric responses, and thus unambiguously indicate that the lowest Frenkel exciton is confined within a fraction of the complex molecule. Our results demonstrate that IXS is a powerful tool for studying excitons in complex organic molecular systems. Besides the energy position, the IXS spectra provide a stringent test on the validity of the theoretically calculated exciton wave functions.

cond-mat.other↗

arXiv2006

Low-Energy Charge-Density Excitations in MgB$_{2}$: Striking Interplay between Single-Particle and Collective Behavior for Large Momenta

A sharp feature in the charge-density excitation spectra of single-crystal MgB$_{2}$, displaying a remarkable cosine-like, periodic energy dispersion with momentum transfer ($q$) along the $c^{*}$-axis, has been observed for the first time by high-resolution non-resonant inelastic x-ray scattering (NIXS). Time-dependent density-functional theory calculations show that the physics underlying the NIXS data is strong coupling between single-particle and collective degrees of freedom, mediated by large crystal local-field effects. As a result, the small-$q$ collective mode residing in the single-particle excitation gap of the B $π$ bands reappears periodically in higher Brillouin zones. The NIXS data thus embody a novel signature of the layered electronic structure of MgB$_{2}$.

cond-mat.str-el↗