arXiv subjects

Guodong Liu

Publications and source records attributed to Guodong Liu.

At least 91 records · Page 5Linked to original sources

arXiv2021

Electronic Structure Examination on the Topological Properties of CaMnSb$_{2}$ by Angle-Resolved Photoemission Spectroscopy

We have carried out detailed high resolution ARPES measurements and band structure calculations to study the electronic structure of CaMnSb$_{2}$. The observed Fermi surface mainly consists of one hole pocket around $Γ$ point and one tiny hole pocket at Y point. Strong spectral weight accumulation along the $Γ$-X direction is observed on the hole-like Fermi surface around $Γ$ point, suggesting strong anisotropy of the density of states along the Fermi surface. The tiny hole pocket at Y point originates from an anisotropic Dirac-like band with the crossing point of the linear bands lying $\sim$ 10 meV above the Fermi level. These observations are in a good agreement with the band structure calculations. In addition, we observe additional features along the $Γ$-Y line that cannot be accounted for by the band structure calculations. Our results provide important information in understanding and exploration of novel properties in CaMnSb$_{2}$ and related materials.

cond-mat.mtrl-sci↗

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

Genuine Electronic Structure and Superconducting Gap Structure in (Ba$_{0.6}$K$_{0.4}$)Fe$_{2}$As$_{2}$ Superconductor

The electronic structure and superconducting gap structure are prerequisites to establish microscopic theories in understanding the superconductivity mechanism of iron-based superconductors. However, even for the most extensively studied optimally-doped (Ba$_{0.6}$K$_{0.4}$)Fe$_2$As$_2$, there remain outstanding controversies on its electronic structure and superconducting gap structure. Here we resolve these issues by carrying out high-resolution angle-resolved photoemission spectroscopy (ARPES) measurements on the optimally-doped (Ba$_{0.6}$K$_{0.4}$)Fe$_2$As$_2$ superconductor using both Helium lamp and laser light sources. Our results indicate the "flat band" feature observed around the Brillouin zone center in the superconducting state originates from the combined effect of the superconductivity-induced band back-bending and the folding of a band from the zone corner to the center. We found direct evidence of the band folding between the zone corner and the center in both the normal and superconducting state. Our resolution of the origin of the flat band makes it possible to assign the three hole-like bands around the zone center and determine their superconducting gap correctly. Around the zone corner, we observe a tiny electron-like band and an M-shaped band simultaneously in both the normal and superconducting states. The obtained gap size for the bands around the zone corner ($\sim$5.5 meV) is significantly smaller than all the previous ARPES measurements. Our results establish a new superconducting gap structure around the zone corner and resolve a number of prominent controversies concerning the electronic structure and superconducting gap structure in the optimally-doped (Ba$_{0.6}$K$_{0.4}$)Fe$_2$As$_2$. They provide new insights in examining and establishing theories in understanding superconductivity mechanism in iron-based superconductors.

cond-mat.supr-con↗

arXiv2021

Momentum-Resolved Visualization of Electronic Evolution in Doping a Mott Insulator

High temperature superconductivity in cuprates arises from doping a parent Mott insulator by electrons or holes. A central issue is how the Mott gap evolves and the low-energy states emerge with doping. Here we report angle-resolved photoemission spectroscopy measurements on a cuprate parent compound by sequential in situ electron doping. The chemical potential jumps to the bottom of the upper Hubbard band upon a slight electron doping, making it possible to directly visualize the charge transfer band and the full Mott gap region. With increasing doping, the Mott gap rapidly collapses due to the spectral weight transfer from the charge transfer band to the gapped region and the induced low-energy states emerge in a wide energy range inside the Mott gap. These results provide key information on the electronic evolution in doping a Mott insulator and establish a basis for developing microscopic theories for cuprate superconductivity.

cond-mat.str-el↗

arXiv2021

Spectroscopic Evidence on Realization of a Genuine Topological Nodal Line Semimetal in LaSbTe

The nodal line semimetals have attracted much attention due to their unique topological electronic structure and exotic physical properties. A genuine nodal line semimetal is qualified by the presence of Dirac nodes along a line in the momentum space that are protected against the spin-orbit coupling. In addition, it requires that the Dirac points lie close to the Fermi level allowing to dictate the macroscopic physical properties. Although the material realization of nodal line semimetals have been theoretically predicted in numerous compounds, only a few of them have been experimentally verified and the realization of a genuine nodal line semimetal is particularly rare. Here we report the realization of a genuine nodal line semimetal in LaSbTe. We investigated the electronic structure of LaSbTe by band structure calculations and angle-resolved photoemission (ARPES) measurements. Taking spin-orbit coupling into account, our band structure calculations predict that a nodal line is formed in the boundary surface of the Brillouin zone which is robust and lies close to the Fermi level. The Dirac nodes along the X-R line in momentum space are directly observed in our ARPES measurements and the energies of these Dirac nodes are all close to the Fermi level. These results constitute clear evidence that LaSbTe is a genuine nodal line semimetal,providing a new platform to explore for novel phenomena and possible applications associated with the nodal line semimetals.

cond-mat.mtrl-sci↗

arXiv2021

Ideal fully spin-polarized type-II nodal line state in half-metals X2YZ4 (X=K, Cs, Rb, Y=Cr, Cu, Z=Cl, F)

Lorentz-violating type-II nodal lines exhibit attracting physical properties and have been hot discussed currently. However, their investigations have been mostly limited in nonmagnetic system because of lacking ideal spin-polarized candidates with clean type-II nodal line states. Here, for the first time, we report the family of X2YZ4 (X=K, Cs, Rb, Y=Cr, Cu, Z=Cl, F) compounds are such ideal candidate materials by using the member of K2CuF4 as an example. We show the material is a ferromagnetic half-metal with weak anisotropy, which host fully spin-polarized conducting electrons. In the conducting spin channel, the band crossing form a pair of type-II nodal lines, protected by mirror symmetry. These type-II nodal lines are different with former proposed examples because they have a 100% spin polarization. In addition, we also show the material can realize switchable topological states, which can be easily controlled by external magnetic field. It is noticed that, the material: i) is stable and can be synthesized in experiments; ii) has clear magnetic structure; and iii) manifests clean type-II nodal line state and clear drumhead surface states. Therefore, the proposed X2YZ4 compounds are expected to be an excellent platform to investigate the novel physical properties of both type-II nodal line states with complete

cond-mat.mtrl-sci↗

arXiv2021

Optimizing Large-Scale Hyperparameters via Automated Learning Algorithm

Modern machine learning algorithms usually involve tuning multiple (from one to thousands) hyperparameters which play a pivotal role in terms of model generalizability. Black-box optimization and gradient-based algorithms are two dominant approaches to hyperparameter optimization while they have totally distinct advantages. How to design a new hyperparameter optimization technique inheriting all benefits from both approaches is still an open problem. To address this challenging problem, in this paper, we propose a new hyperparameter optimization method with zeroth-order hyper-gradients (HOZOG). Specifically, we first exactly formulate hyperparameter optimization as an A-based constrained optimization problem, where A is a black-box optimization algorithm (such as deep neural network). Then, we use the average zeroth-order hyper-gradients to update hyperparameters. We provide the feasibility analysis of using HOZOG to achieve hyperparameter optimization. Finally, the experimental results on three representative hyperparameter (the size is from 1 to 1250) optimization tasks demonstrate the benefits of HOZOG in terms of simplicity, scalability, flexibility, effectiveness and efficiency compared with the state-of-the-art hyperparameter optimization methods.

cs.LG↗

arXiv2021

Observation of unconventional six-fold, four-fold and three-fold excitations in rare-earth-metal carbide Re2C3

Unconventional fermions, such as three-fold, four-fold, six-fold, and eight-fold fermions have attracted intense attention in recent years. However, the concrete materials hosting unconventional fermions are still in urgent scarcity. In this work, based first-principle calculations and symmetry analysis, we reveal rich unconventional fermions in existing compound Re2C3 (Re = Y, La, Ce, Pr, Nd, Sm, Tb, Dy, Ho, Er, Tm, Yb, Lu). We show that these compounds host quadratic dispersive three-fold (TP), linear dispersive four-fold (FP) and six-fold points (SP) near the Fermi level in their electric band structures when spin-orbital coupling (SOC) is not included. Notably, the FP is charge-2 Dirac-like point. More importantly, among compound Re2C3, the compound Yb2C3 has very clean band structure, and its unconventional fermions are closed to the Fermi level. We also find that a uniaxial strain can transform the unconventional fermions into other types fermions, depending on the directions of strain. When SOC is considered, a SP transform to an eightfold degenerate point and a fourfold degenerate point. Overall, our work provides a family of realistic materials to study the unconventional fermions.

cond-mat.mtrl-sci↗

arXiv2020

Origin of the Electronic Structure in Single-Layer FeSe/SrTiO3 Films

The accurate theoretical description of the underlying electronic structures is essential for understanding the superconducting mechanism of iron-based superconductors. Compared to bulk FeSe, the superconducting single-layer FeSe/SrTiO3 films exhibit a distinct electronic structure consisting of only electron Fermi pockets, due to the formation of a new band gap at the Brillouin zone (BZ) corners and an indirect band gap between the BZ center and corners. Although intensive studies have been carried out, the origin of such a distinct electronic structure and its connection to bulk FeSe remain unclear. Here we report a systematic study on the temperature evolution of the electronic structure in single-layer FeSe/SrTiO3 films by angle-resolved photoemission spectroscopy. A temperature-induced electronic phase transition was clearly observed at 200 K, above which the electronic structure of single-layer FeSe/SrTiO3 films restored to that of bulk FeSe, characterized by the closing of the new band gap and the vanishing of the indirect band gap. Moreover, the interfacial charge transfer effect induced band shift of ~ 60 meV was determined for the first time. These observations not only show the first direct evidence that the electronic structure of single-layer FeSe/SrTiO3 films originates from bulk FeSe through a combined effect of an electronic phase transition and an interfacial charge transfer, but also provide a quantitative basis for theoretical models in describing the electronic structure and understanding the superconducting mechanism in single-layer FeSe/SrTiO3 films.

cond-mat.supr-con↗

arXiv2020

Approximating Trajectory Constraints with Machine Learning -- Microgrid Islanding with Frequency Constraints

In this paper, we introduce a deep learning aided constraint encoding method to tackle the frequency-constraint microgrid scheduling problem. The nonlinear function between system operating condition and frequency nadir is approximated by using a neural network, which admits an exact mixed-integer formulation (MIP). This formulation is then integrated with the scheduling problem to encode the frequency constraint. With the stronger representation power of the neural network, the resulting commands can ensure adequate frequency response in a realistic setting in addition to islanding success. The proposed method is validated on a modified 33-node system. Successful islanding with a secure response is simulated under the scheduled commands using a detailed three-phase model in Simulink. The advantages of our model are particularly remarkable when the inertia emulation functions from wind turbine generators are considered.

eess.SY↗

arXiv2020

Spectroscopic Evidence of Superconductivity Pairing at 83 K in Single-Layer FeSe/SrTiO3 Films

Single-layer FeSe films grown on the SrTiO3 substrate (FeSe/STO) have attracted much attention because of their possible record-high superconducting critical temperature Tc and distinct electronic structures in iron-based superconductors. However, it has been under debate on how high its Tc can really reach due to the inconsistency of the results obtained from the transport, magnetic and spectroscopic measurements. Here we report spectroscopic evidence of superconductivity pairing at 83 K in single-layer FeSe/STO films. By preparing high-quality single-layer FeSe/STO films, we observe for the first time strong superconductivity-induced Bogoliubov back-bending bands that extend to rather high binding energy ~100 meV by high-resolution angle-resolved photoemission measurements. The Bogoliubov back-bending band provides a new definitive benchmark of superconductivity pairing that is directly observed up to 83 K in the single-layer FeSe/STO films. Moreover, we find that the superconductivity pairing state can be further divided into two temperature regions of 64-83 K and below 64 K. We propose the 64-83 K region may be attributed to superconductivity fluctuation while the region below 64 K corresponds to the realization of long-range superconducting phase coherence. These results indicate that either Tc as high as 83 K is achievable in iron-based superconductors, or there is a pseudogap formation from superconductivity fluctuation in single-layer FeSe/STO films.

cond-mat.supr-con↗

arXiv2020

Evidence for bosonic mode coupling in electron dynamics of LiFeAs superconductor

Super-high resolution laser-based angle-resolved photoemission measurements are carried out on LiFeAs superconductor to investigate its electron dynamics. Three energy scales at $\sim$20 meV, $\sim$34 meV and $\sim$55 meV are revealed for the first time in the electron self-energy both in the superconducting state and normal state. The $\sim$20 meV and $\sim$34 meV scales can be attributed to the coupling of electrons with sharp bosonic modes which are most likely phonons. These observations provide definitive evidence on the existence of mode coupling in iron-based superconductors.

cond-mat.supr-con↗

arXiv2020

Fully spin-polarized double-Weyl fermions with type-III dispersion in quasi-one dimensional materials X2RhF6 (X=K, Rb, Cs)

Double-Weyl fermions, as novel topological states of matter, have been mostly discussed in nonmagnetic materials. Here, based on density-functional theory and symmetry analysis, we propose the realization of fully spin-polarized double-Weyl fermions in a family ferromagnetic materials X2RhF6 (X= K, Rb, Cs). These materials have the half-metal ground states, where only the bands from the spin-down channel present near the Fermi energy. The spin-down bands form a pair of triply degenerate nodal points (TDNPs) if spin-orbit coupling (SOC) is not included. Under SOC, one TDNP splits into two double-Weyl points featuring quadratic dispersion along two momentum direction, and they are protected by the three-fold rotation (C3) symmetry. Unlike most double-Weyl semimetals, the Weyl points proposed here have the type-III dispersion with one of the crossing bands being saddle-shaped. An effective model is constructed, which describes well the nature of the Weyl points. These Weyl points are fully spin-polarized, and are characterized with double Fermi arcs on the surface spectrum. Breaking C3 symmetry by lattice strain could shift one double-Weyl point into a pair of type-II single-Weyl points. The X2RhF6 materials proposed here are excellent candidates to investigate the novel properties of type-III double-Weyl fermions in ferromagnetic system, as well as generate potential applications in spintronics.

cond-mat.mtrl-sci↗

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

Ferromagnetic hybrid nodal loop and switchable type-I and type-II Weyl fermions in two-dimension

As a novel type of fermionic state, hybrid nodal loop with the coexistence of both type-I and type- II band crossings has attracted intense research interest. However, it remains a challenge to realize hybrid nodal loop in both two-dimensional (2D) materials and in ferromagnetic (FM) materials. Here, we propose the first FM hybrid nodal loop in 2D CrN monolayer. We show that the material has a high Curie temperature (> 600 K) FM ground state, with the out-of-plane [001] magnetization. It shows a half-metallic band structure with two bands in the spin-up channel crossing each other near the Fermi level. These bands produce both type-I and type-II band crossings, which form a fully spin-polarized hybrid nodal loop. We find the nodal loop is protected by the mirror symmetry and robust against spin-orbit coupling (SOC). An effective Hamiltonian characterizing the hybrid nodal loop is established. We further find the configuration of nodal loop can be shifted under external perturbations such as strain. Most remarkably, we demonstrate that both type-I and type-II Weyl nodes can be realized from such FM hybrid nodal loop by simply shifting the magnetization from out-of-plane to in-plane. Our work provides an excellent candidate to realize FM hybrid nodal loop and Weyl fermions in 2D material, and is also promising for related topological applications with their intriguing properties.

cond-mat.mtrl-sci↗

arXiv2020

Fully spin-polarized nodal chain state in half metal LiV$_2$O$_4$

Nodal-chain fermions, as novel topological states of matter, have been hotly discussed in non-magnetic materials. Here, by using first-principles calculations and symmetry analysis, we propose the realization of fully spin-polarized nodal chain in the half-metal state of LiV$_2$O$_4$ compound. The material naturally shows a ferromagnetic ground state, and takes on a half-metal band structure with only the bands from the spin-up channel present near the Fermi level. The spin-up bands cross with each other, which form two types of nodal loops. These nodal loops arise from band inversion and are under the protection of the glide mirror symmetries. Remarkably, we find the nodal loops conjunct with each other and form chain-like nodal structure. Correspondingly, the w-shaped surface states are also fully spin-polarized. The fully spin-polarized nodal chain identified here has not been proposed in realistic materials before. An effective model is constructed to describe the nature of nodal chain. The effects of the electron correlation, the lattice strains, and the spin-orbit coupling are discussed. The fully spin-polarized bulk nodal-chain and the associated nontrivial surface states for a half-metal may open novel applications in spintronics.

cond-mat.mtrl-sci↗

arXiv2020

Structure, phase stability, half-metallicity, and fully spin-polarized Weyl states in compound NaV2O4: a new example for topological spintronic material

Here, we systematically investigate the structure, phase stability, half-metallicity, and topological electronic structure for a new topological spintronic material NaV2O4. The material has a tetragonal structure with excellent dynamical and thermal stabilities. It shows a half-metallic ground state, where only the spin-up bands present near the Fermi level. These bands form a Weyl nodal line close to the Fermi level, locating in the kz = 0 plane. The nodal line is robust against SOC, under the protection of the mirror symmetry. The nodal line band structure is very clean, thus the drumhead surface states can be clearly identified. Remarkably, the nodal line and drumhead surface states have the 100% spin polarization, which are highly desirable for spintronics applications. In addition, by shifting the magnetic field in-plane, we find that the Weyl nodal line can transform into single pair of Weyl nodes. The Weyl-line and Weyl-node fermions in the bulk, as well as the drumhead fermions on the surface are all fully spin-polarized, which may generate new physical properties and promising applications.

cond-mat.mtrl-sci↗

arXiv2020

A Record-High Ion Storage Capacity of T-Graphene as Two-Dimensional Anode Material for Li-ion and Na-ion Batteries

Developing applicable two-dimensional (2D) electrode materials with high performance, especially with high ion storage capacity, has become an ever more obsessive quest in recent years. Based on first-principles calculations, we report that T-graphene, a new carbon-based 2D material, has a record-high Li/Na storage capacity. The capacity of T-graphene is as high as 2233.2 mA h g-1 for Li, and can reach 2357.2 mA h g-1 for Na, which are 6 times as much as that of the commercial graphite and are the highest among 2D anode materials identified so far. We demonstrate that the ultrahigh storage capacity of T-graphene mostly benefits from its low atomic mass and special periodic lattice structure. T-graphene has not only the ultrahigh storage capacity but also hosts the stable ion adsorption, good electric conductivity, fast ion diffusion speed, and low open-circuit voltage, which are merits required as a superior anode material for Li-ion and Na-ion batteries with ultrahigh storage capacity.

cond-mat.mtrl-sci↗