arXiv subjects

Yongqing Cai

Publications and source records attributed to Yongqing Cai.

At least 73 records · Page 4Linked to original sources

arXiv2020

Electronic Evolution from the Parent Mott Insulator to a Superconductor in Lightly Hole-Doped Bi2Sr2CaCu2O8+delta

High temperature superconductivity in cuprates is realized by doping the Mott insulator with charge carriers. A central issue is how such an insulating state can evolve into a conducting or superconducting state when charge carriers are introduced. Here, by in situ vacuum annealing and Rb deposition on the Bi2Sr2Ca0.6Dy0.4Cu2O8+delta (Bi2212) sample surface to push its doping level continuously from deeply underdoped (Tc=25 K, doping level p-0.066) to the near zero doping parent Mott insulator, angle-resolved photoemission spectroscopy measurements are carried out to observe the detailed electronic structure evolution in lightly hole-doped region for the first time. Our results indicate that the chemical potential lies at about 1 eV above the charge transfer band for the parent state at zero doping which is quite close to the upper Hubbard band. With increasing hole doping, the chemical potential moves continuously towards the charge transfer band and the band structure evolution exhibits a rigid band shift-like behavior. When the chemical potential approaches the charge transfer band at a doping level of -0.05, the nodal spectral weight near the Fermi level increases, followed by the emergence of the coherent quasiparticle peak and the insulator-superconductor transition. Our observations provide key insights in understanding the insulator-superconductor transition in doping the parent cuprate compound and for establishing related theories.

cond-mat.supr-con↗

arXiv2020

Direct Measurement of the Electronic Structure and band gap nature of atomic-layer-thick 2H-MoTe2

The millimeter sized monolayer and bilayer 2H-MoTe2 single crystal samples are prepared by a new mechanical exfoliation method. Based on such high-quality samples, we report the first direct electronic structure study on them, using standard high resolution angle-resolved photoemission spectroscopy (ARPES). A direct band gap of 0.924eV is found at K in the rubidium-doped monolayer MoTe2. Similar valence band alignment is also observed in bilayer MoTe2,supporting an assumption of a analogous direct gap semiconductor on it. Our measurements indicate a rather large band splitting of 212meV at the valence band maximum (VBM) in monolayer MoTe2, and the splitting is systematically enlarged with layer stacking, from monolayer to bilayer and to bulk. Meanwhile, our PBE band calculation on these materials show excellent agreement with ARPES results. Some fundamental electronic parameters are derived from the experimental and calculated electronic structures. Our findings lay a foundation for further application-related study on monolayer and bilayer MoTe2.

cond-mat.mtrl-sci↗

arXiv2020

Spectroscopic Evidence of Bilayer Splitting and Interlayer Pairing in an Iron Based Superconductor

In high temperature cuprate superconductors, the interlayer coupling between the CuO$_2$ planes plays an important role in dictating superconductivity, as indicated by the sensitive dependence of the critical temperature (T$_C$) on the number of CuO$_2$ planes in one structural unit. In Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ superconductor with two CuO$_2$ planes in one structural unit, the interaction between the two CuO$_2$ planes gives rise to band splitting into two Fermi surface sheets (bilayer splitting) that have distinct superconducting gap. The iron based superconductors are composed of stacking of the FeAs/FeSe layers; whether the interlayer coupling can cause similar band splitting and its effect on superconductivity remain unclear. Here we report high resolution laser-based angle-resolved photoemission spectroscopy (ARPES) measurements on a newly discovered iron based superconductor, KCa$_2$Fe$_4$As$_4$F$_2$ (T$_C$=33.5\,K) which consists of stacking FeAs blocks with two FeAs layers separated by insulating Ca$_2$F$_2$ blocks. Bilayer splitting effect is observed for the first time that gives rise to totally five hole-like Fermi surface sheets around the Brilliouin zone center. Band structure calculations reproduce the observed bilayer splitting by identifying interlayer interorbital interaction between the two FeAs layers within one FeAs block. All the hole-like pockets around the zone center exhibit Fermi surface-dependent and nodeless superconducting gap. The gap functions with short-range antiferromagetic fluctuations are proposed and the gap symmetry can be well understood when the interlayer pairing is considered. The particularly strong interlayer pairing is observed for one of the bands. Our observations provide key information on the interlayer coupling and interlayer pairing in understanding superconductivity in iron based superconductors.

cond-mat.supr-con↗

arXiv2019

Electronic Structure of Exfoliated Millimeter-Sized Monolayer WSe2 on Silicon Wafer

The monolayer WSe2 is interesting and important for future application in nanoelectronics, spintronics and valleytronics devices, because it has the largest spin splitting and longest valley coherence time among all the known monolayer transition-metal dichalcogenides (TMDs). To obtain the large-area monolayer TMDs' crystal is the first step to manufacture scalable and high-performance electronic devices. In this letter, we have successfully fabricated millimeter-sized monolayer WSe2 single crystals with very high quality, based on our improved mechanical exfoliation method. With such superior samples, using standard high resolution angle-resolved photoemission spectroscopy, we did comprehensive electronic band structure measurements on our monolayer WSe2. The overall band features point it to be a 1.2eV direct band gap semiconductor. Its spin-splitting of the valence band at K point is found as 460 meV, which is 30 meV less than the corresponding band splitting in its bulk counterpart. The effective hole masses of valence bands are determined as 2.344 me at Gamma, and 0.529 me as well as 0.532 me at K for the upper and lower branch of splitting bands, respectively. And screening effect from substrate is shown to substantially impact on the electronic properties. Our results provide important insights into band structure engineering in monolayer TMDs. Our monolayer WSe2 crystals may constitute a valuable device platform.

cond-mat.mes-hall↗

arXiv2019

Metastable Interlayer Frenkel Pair Defects by Dipole-like Strain Fields for Dimensional Distortion in Black Phosphorus

The low formation energy of atomic vacancies in black phosphorus allows it to serve as an ideal prototypical system for exploring the dynamics of interlayer interstitial-vacancy (I-V) pairs (i.e. Frenkel defects) which account for Wigner energy release. Based on a few-layer model of black phosphorus, we conduct discrete geometry analysis and investigate the structural dynamics of intimate interlayer Frenkel pairs from first-principles calculations. We reveal a highly metastable I-V pair state driven by anisotropic dipole-like strain fields which can build strong connections between neighbouring layers. In the 2D limit (monolayer), the intimate I-V pair exhibits a relatively low formation energy of 1.54 eV and is energetically favoured over its isolated constituents by up to 1.68 eV. The barrier for annihilation of the Frenkel pair is 1.46 eV in the bilayer, which is remarkably higher than that of similar defects in graphite. The findings reported in this work suggest that there exist rich bridging pathways in black phosphorus, leading to stable dimensional reduction and structural condensation on exposure to moderate electron excitation or thermal annealing. This study paves the way for creating novel dimensional-hybrid polymorphs of phosphorus via the introduction of such metastable interlayer I-V pair defects.

cond-mat.mtrl-sci↗

arXiv2019

Evidence for an Additional Symmetry Breaking from Direct Observation of Band Splitting in the Nematic State of FeSe Superconductor

The iron-based superconductor FeSe has attracted much recent attention because of its simple crystal structure, distinct electronic structure and rich physics exhibited by itself and its derivatives. Determination of its intrinsic electronic structure is crucial to understand its physical properties and superconductivity mechanism. Both theoretical and experimental studies so far have provided a picture that FeSe consists of one hole-like Fermi surface around the Brillouin zone center in its nematic state. Here we report direct observation of two hole-like Fermi surface sheets around the Brillouin zone center, and the splitting of the associated bands, in the nematic state of FeSe by taking high resolution laser-based angle-resolved photoemission measurements. These results indicate that, in addition to nematic order and spin-orbit coupling, there is an additional order in FeSe that breaks either inversion or time reversal symmetries. The new Fermi surface topology asks for reexamination of the existing theoretical and experimental understanding of FeSe and stimulates further efforts to identify the origin of the hidden order in its nematic state.

cond-mat.supr-con↗

arXiv2019

Selective Hybridization between Main Band and Superstructure Band in Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ Superconductor

High-resolution laser-based angle-resolved photoemission measurements have been carried out on Bi$_2$Sr$_2$CaCu$_2$O$_{8+δ}$ (Bi2212) and Bi$_2$Sr$_{2-x}$La$_x$CuO$_{6+δ}$ (Bi2201) superconductors. Unexpected hybridization between the main band and the superstructure band in Bi2212 is clearly revealed. In the momentum space where one main Fermi surface intersects with one superstructure Fermi surface, four bands are observed instead of two. The hybridization exists in both superconducting state and normal state, and in Bi2212 samples with different doping levels. Such a hybridization is not observed in Bi2201. This phenomenon can be understood by considering the bilayer splitting in Bi2212, the selective hybridization of two bands with peculiar combinations, and the altered matrix element effects of the hybridized bands. These observations provide strong evidence on the origin of the superstructure band which is intrinsic to the CuO$_2$ planes. Therefore, understanding physical properties and superconductivity mechanism in Bi2212 should consider the complete Fermi surface topology which involves the main bands, the superstructure bands and their interactions.

cond-mat.supr-con↗

arXiv2019

Design of Phosphorene for Hydrogen Evolution Performance Comparable to Platinum

Phosphorene, a monolayer of bulk black phosphorus, is promising for light harvest owing to its high charge mobility and tunable direct band gap covering a broad spectral range of light. Here, via atomic-scale first-principles simulations, we report a ultrahigh activity of hydrogen evolution reaction (HER) of phosphorene originated from defective activation. Quantitative evaluation of the Gibbs free energy of the ad desorption of hydrogen (H) to from phosphorene (delta_GH) reveals that atomic vacancies and edges play a dominant role in activating the reaction. We find that the defective states, empty and well-localized around the defect core, are compensated by H species. This induces a proper hydrogen interaction complying with the thermoneutral condition of the free energy (delta_GH=0) comparable to platinum. Our findings of the highly activating defective states suggest the design of non-metal HER catalysts with structural engineering of earth-abundant phosphorus structures.

cond-mat.mtrl-sci↗

arXiv2019

Surface-charge-mediated Formation of H-TiO2@Ni(OH)2 Heterostructures for High-Performance Supercapcitors

Supercapacitors or ultracapacitors are promising for efficient energy storage applications, owing to their high power density, high charge-discharge rates, and long cycle life performance. To achieve this goal, a large specific surface area, an high electronic conductivity and a fast cation intercalation de-intercalation process are generally required in the design and preparation of materials for high-performance supercapacitors. Recently, core-shell heterostructures with multifunctionalities are regarded as one of promising materials for supercapacitors or ultracapacitors applications. In particular, one-dimensional (1D) core-shell heterostructures have sparked great scientific and technological interests due to their high versatility and applicability as the essential components in nanoscale electronics, catalysis, chemical sensing, and energy conversion storage devices. Various metal metal oxide, metal metal, metal oxide metal oxide and metal oxide conductive polymers so far have been investigated. Transition metal hydroxide oxide Co3O4, Co(OH)2, MnO2, Mn(OH)2, NiO, Ni(OH)2 and their compounds storing energy by surface faradaic (redox) reactions were generally integrated with conducting scaffold to build core-shell structure. Intensive studies show that an enlarged active surface area of transition metal hydroxide oxide enables a promoted surface redox reaction and enhanced electrochemical performance. Therefore, controllable synthesis of a hierarchically porous construction with high surface areas is critically important for energy storage.

cond-mat.mtrl-sci↗

arXiv2019

Utilization of Strong Charge Transfer Efficiency at 2H-1T Phase Boundary of MoS2 for Superb High-Performance Charge Storage

Transition metal dichalcogenides like MoS2 can exist many phases like the semiconducting 2H and the metallic 1T phases which have shown intriguing properties for energy and electrocatalytic applications. However, the 2H and 1T phases normally distribute coherently in a single-layered MoS2 sheet which is accompanied with ubiquitous hetero-phase boundaries. In this work, by using density functional theory and electrochemical measurement, we report strong charge transfer ability between 2H/1T phase boundary of MoS2 and graphene which accounts for a superb coexistence of gravimetric and volumetric capacitances of 272 F g-1 and 685 F cm-3. As a proof-of-concept application, a flexible solid-state asymmetric supercapacitor based on MoS2/graphene is fabricated, showing a remarkable energy and power densities (46.3 mWh cm-3 and 3.013 Wcm-3). Our work shows the promise of promoting the efficiency of charge flow and energy storage through engineering phase boundary and interface in phase-change materials.

physics.app-ph↗

arXiv2019

Evolution of Intrinsic Vacancies and Prolonged Lifetime of Vacancy Clusters in Black Phosphorene

Due to the relatively low formation energies and highly mobile characteristics of atomic vacancies in phosphorene, understanding their evolutions becomes crucial for its structural integrity, chemical activities and applications. Herein, by combining first-principles calculations and kinetic Monte Carlo simulation, we investigate the time evolution and formation of atomic vacancy clusters from isolated monovacancies (MVs), aiming to uncover the mechanisms of diffusion, annihilation, reaction of these atomic vacancies. We find that while isolated MVs possess a highly mobile character, they react and form MV pairs which possess much lower mobility and high stability under ambient condition. We also show that the disappearance of MVs at the edge is quite slow due to the relatively high energy barrier, and as a result, around 80% of MVs remains even after two years under ambient condition. Our findings on one hand provide useful information for the structural repairing of phosphorene through chemical functionalization of these vacancy clusters, and on the other hand, suggest that these rather stable vacancy clusters may be used as an activated catalyst.

cond-mat.mtrl-sci↗

arXiv2019

High Precision Determination of the Planck Constant by Modern Photoemission Spectroscopy

The Planck constant, with its mathematical symbol $h$, is a fundamental constant in quantum mechanics that is associated with the quantization of light and matter. It is also of fundamental importance to metrology, such as the definition of ohm and volt, and the latest definition of kilogram. One of the first measurements to determine the Planck constant is based on the photoelectric effect, however, the values thus obtained so far have exhibited a large uncertainty. The accepted value of the Planck constant, 6.62607015$\times$10$^{-34}$ J$\cdot$s, is obtained from one of the most precise methods, the Kibble balance, which involves quantum Hall effect, Josephson effect and the use of the International Prototype of the Kilogram (IPK) or its copies. Here we present a precise determination of the Planck constant by modern photoemission spectroscopy technique. Through the direct use of the Einstein's photoelectric equation, the Planck constant is determined by measuring accurately the energy position of the gold Fermi level using light sources with various photon wavelengths. The precision of the measured Planck constant, 6.62610(13)$\times$10$^{-34}$ J$\cdot$s, is four to five orders of magnitude improved from the previous photoelectric effect measurements. It has rendered photoemission method to become one of the most accurate methods in determining the Planck constant. We propose that this direct method of photoemission spectroscopy has advantages and a potential to further increase its measurement precision of the Planck constant to be comparable to the most accurate methods that are available at present.

physics.ins-det↗

arXiv2019

Evolution of Incommensurate Superstructure and Electronic Structure with Pb Substitution in (Bi$_{2-x}$Pb$_{x}$)Sr$_2$CaCu$_2$O$_{8+δ}$ Superconductors

High-quality Bi$_{2-x}$Pb$_{x}$Sr$_2$CaCu$_2$O$_{8+δ}$ (Bi2212) single crystals have been successfully grown by the traveling solvent floating zone technique with a wide range of Pb substitution ($x=0-0.8$). The samples are characterized by transmission electron microscope (TEM) and measured by high resolution laser-based angle-resolved photoemission spectroscopy (ARPES) with different photon energies. A systematic evolution of the electronic structure and superstructure with Pb substitution has been revealed for the first time. The superstructure shows a significant change with Pb substitution and the incommensurate modulation vector ($\textbf{Q}$) decreases with increasing Pb substitution. In the meantime, the superstructure intensity from ARPES measurements also decreases dramatically with increasing Pb concentration. The superstructure in Bi2212 can be effectively suppressed by Pb substitution and it nearly disappears with a Pb substitution of $x=0.8$. We also find that the superstructure bands in ARPES measurements depend sensitively on the photon energy of lasers used; they can become even stronger than the main band when using a laser photon energy of 10.897 eV. These results provide important information on the origin of the incommensurate superstructure and its control and suppression in bismuth-based high temperature superconductors.

cond-mat.supr-con↗

arXiv2019

Ultrafast diffusive cross-sheet motion of lithium through antimonene with a 2+1 dimensional kinetics

Layered two-dimensional materials like graphene are highly appealing for lithium battery applications owing to their high surface-volume ratios. However, a critical issue that limits their practical applications is the confined motion of lithium atoms within their van der Waal's gaps, which is the leading cause for battery failure due to severe clustering and phase separation. Here we demonstrate that antimonene, an exfoliatable 2D material with a high structural stability, exhibits a highly mobile cross-sheet motion owing to its unique structural features. The advent of the vertically permeable channels opens a new pathway of lithium besides the normal motion along the basal plane, rendering a 2+1 dimensional kinetics. Specifically, our first-principles calculations combined with the discrete geometry analysis revealed that the energy barrier for a lithium atom to diffuse across the antimonene sheet is as low as 0.36 eV, which can be further reduced to 0.18 eV under a tensile strain of 4%. These ultralow diffusion barriers across the sheet can open a new dimension for controlling the motion of lithium atoms, leading to a new paradigm for high-performance lithium batteries or inorganic solid-state lithium-ion conductors.

cond-mat.mtrl-sci↗

arXiv2019

Emergence of Superconductivity from Fully Incoherent Normal State in an Iron-Based Superconductor (Ba$_{0.6}$K$_{0.4}$)Fe$_2$As$_2$

In unconventional superconductors, it is generally believed that understanding the physical properties of the normal state is a pre-requisite for understanding the superconductivity mechanism. In conventional superconductors like niobium or lead, the normal state is a Fermi liquid with a well-defined Fermi surface and well-defined quasipartcles along the Fermi surface. Superconductivity is realized in this case by the Fermi surface instability in the superconducting state and the formation and condensation of the electron pairs (Cooper pairing). The high temperature cuprate superconductors, on the other hand, represent another extreme case that superconductivity can be realized in the underdoped region where there is neither well-defined Fermi surface due to the pseudogap formation nor quasiparticles near the antinodal regions in the normal state. Here we report a novel scenario that superconductivity is realized in a system with well-defined Fermi surface but without quasiparticles along the Fermi surface in the normal state. High resolution laser-based angle-resolved photoemission measurements have been performed on an optimally-doped iron-based superconductor (Ba$_{0.6}$K$_{0.4}$)Fe$_2$As$_2$. We find that, while sharp superconducting coherence peaks emerge in the superconducting state on the hole-like Fermi surface sheets, no quasiparticle peak is present in the normal state. Its electronic behaviours deviate strongly from a Fermi liquid system. The superconducting gap of such a system exhibits an unusual temperature dependence that it is nearly a constant in the superconducting state and abruptly closes at T$_c$. These observations have provided a new platform to study unconventional superconductivity in a non-Fermi liquid system.

cond-mat.supr-con↗

arXiv2019

Kondo Impurities in Two Dimensional MoS2 for Achieving Ultrahigh Thermoelectric Powerfactor

Local magnetic impurities arising from atomic vacancies in two-dimensional (2D) nanosheets are predicted to have a profound effect on charge transport due to resonant scattering, and provide a handle for enhancing thermoelectric properties through the Kondo effect. However, the effects of these impurities are often masked by external fluctuations and turbostratic interfaces, therefore, it is highly challenging to probe the correlation between magnetic impurities and thermoelectric parameters experimentally. In this work, we demonstrate that by placing Molybdenum Disulfide on a hexagonal Boron Nitride substrate, a colossal spin splitting of the conduction sub-band up to ~50.0 meV is observed at the sulfur vacancies, suggesting that these are local magnetic states. Transport measurements reveal a large anomalous positive Seebeck coefficient in highly conducting n type MoS2, originating from quasiparticle resonance near the Fermi level described by the Kondo effect. Furthermore, by tuning the chemical potential, a record power factor of 50mW/mK2 in low-dimensional materials was achieved. Our work shows that defect engineering of 2D materials affords a strategy for controlling Kondo impurities and tuning thermoelectric transport.

cond-mat.mes-hall↗

arXiv2019

Disappearance of Superconductivity and a Concomitant Lifshitz Transition in Heavily-Overdoped Bi2Sr2CuO6 Superconductor Revealed by Angle-Resolved Photoemission Spectroscopy

By partially doping Pb to effectively suppress the superstructure in single-layered cuprate Bi2Sr2CuO6+δ(Pb-Bi2201) and annealing them in vacuum or in high pressure oxygen atmosphere, a series of high quality Pb-Bi2201 single crystals are obtained with Tc covering from 17 K to non-supercondcuting in the overdoped region. High resolution angle resolved photoemission spectroscopy (ARPES) measurements are carried out on these samples to investigate the evolution of the Fermi surface topology with doping in the normal state. Clear and complete Fermi surface are observed and quantitatively analyzed in all these overdoped Pb-Bi2201 samples. A Lifshitz transition from hole-like Fermi surface to electron like Fermi surface with increasing doping is observed at a doping level of ~0.35. This transition coincides with the change that the sample undergoes from superconducting to non-superconducting states. Our results reveal the emergence of an electron-like Fermi surface and the existence of a Lifshitz transition in heavily overdoped Bi2201 samples. They provide important information in understanding the connection between the disappearance of superconductivity and the Lifshitz transition in the overdoped region.

cond-mat.supr-con↗

arXiv2018

Strain Engineering of Antimonene by a First-principles Study: Mechanical and Electronic Properties

In this work, we investigate the mechanical and electronic properties of monolayer antimonene in its most stable beta-phase using first-principles calculations. The upper region of its valence band is found to solely consist of lone pair p-orbital states, which are by nature more delocalized than the d-orbital states in transition metal dichalcogenides, implying superior transport performance of antimonene. The Young's and shear moduli of beta-antimonene are observed to be ~25% higher than those of bulk antimony, while the hexagonal lattice constant of the monolayer reduces significantly (~5%) from that in bulk, indicative of strong inter-layer coupling. The ideal tensile test of beta-antimonene under applied uniaxial strain highlights ideal strengths of 6 GPa and 8 GPa, corresponding to critical strains of 15% and 17% in the zigzag and armchair directions, respectively. During the deformation process, the structural integrity of the material is shown to be better preserved, albeit moderately, in the armchair direction. Interestingly, the application of uniaxial strain in the zigzag and armchair directions unveil direction-dependent trends in the electronic band structure. We find that the nature of the band gap remains insensitive to strain in the zigzag direction, while strain in the armchair direction activates an indirect-direct band gap transition at a critical strain of 4%, owing to a band switching mechanism. The curvature of the conduction band minimum increases during the transition, which suggests a lighter effective mass of electrons in the direct-gap configuration than in the free-standing state of equilibrium. The work function of free-standing beta-antimonene is 4.59 eV and it attains a maximum value of 5.07 eV under an applied biaxial strain of 4%.

cond-mat.mtrl-sci↗