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Haiqing Lin

Publications and source records attributed to Haiqing Lin.

27 records · Page 2Linked to original sources

Quantum phase diagram for two species hardcore bosons in one-dimensional optical lattices with the resonantly driven Rabi frequency

We propose an experimental realization of the time-periodically modulated Rabi frequency and suggest density-dependent hoppings of two species hardcore bosons in a one-dimensional optical lattice. Distinct from the previous work [Phys. Rev. Research {\bf 2}, 013275 (2020)], we study effects in the first resonance region. In the effective Hamiltonian, the intra-species hopping occurs only if the density discrepancy of the other species on these sites is zero, while the inter-species one is allowed once the relevant density discrepancy becomes nonzero. At integer-$1$ filling, the quantum phase diagram of the effective Hamiltonian is determined by the perturbation analysis together with numerical calculations. We find that in the limit of dominant $J_{1}$, the system becomes a double-degenerate dimerized state, with spontaneously breaking the translation symmetry. The interplay of $J_{0}$, $J_{1}$ and the fixed ${\bar U}=1$ leads to three BKT transition lines and a tricritical BKT point. Exact transition lines are obtained by the level spectroscopic technique. Besides, general physical properties, including the charge gap, neutral gap, superfluid density and dimerization strength, are investigated as well.

cond-mat.quant-gas↗

Unusual Hole-doping-dependent Electronic Instability and Electron-Phonon Coupling in Infinite-layer Nickelates

The interplay between superconductivity and charge density waves (CDWs) under hole doping in cuprates is one of the central phenomena in condensed matter physics. Recently, CDWs are also observed in CaCuO$_2$-analogous nickelates RNiO$_2$ (R = La, Nd) but exhibit fundamentally different hole-doping-dependent behaviors compared to that in cuprates, raising a challenging question on its origin. In this article, we propose that electronic instability (EI) and moment-dependent electron-phonon coupling (MEPC), mainly contributed by Ni 3dx2-y2 and R 5dz2, respectively, may be the possible reasons for CDW formation in RNiO$_2$. Without hole doping, a strong Fermi surface nesting (FSN) induced by the unique feature of van Hove singularity (VHS) across Fermi level exists in RNiO$_2$ but not in CaCuO$_2$, and the unusual temperature-insensitive feature of EI and MEPC could result in rather high temperature CDWs in RNiO$_2$. Under hole doping, the reduced FSN of Ni 3dx2-y2 by the shift of VHS and decreased occupation of R 5dz2 largely weaken EI and MEPC in RNiO$_2$, respectively, suppressing the CDW formation. Our theory not only offers possible explanations to some puzzling experimental observations, but also establishes a unified understanding on the hole-doping-dependent EI and MEPC in nickelates and cuprates.

cond-mat.supr-con↗

Interplay between nematic fluctuation and superconductivity in the two-orbital Hubbard model: A quantum Monte Carlo study

To understand the interplay between nematic fluctuation and superconductivity in iron-based superconductors, we performed a systematic study of the realistic two-orbital Hubbard model by using the constrained-path quantum Monte Carlo method. Our numerical results showed that the on-site nematic interaction induces a strong enhancement of nematic fluctuations at various momentums, especially at ($π$,$π$). Simultaneously, it was found that the on-site nematic interaction suppresses the ($π$,0)/(0,$π$) antiferromagnetic order and long-range electron pairing correlations for dominant pairing channels in iron-based superconductors. Our findings suggest that nematic fluctuation seems to compete with superconductivity in iron-based superconductors.

cond-mat.str-el↗

Geometrical and electronic structures of tripotassium-doped hydrocarbon superconductors: Density functional calculations

A systemically theoretical study has been presented to explored the crystal structures and electronic characteristics of polycyclic aromatic hydrocarbons (PAHs), such as solid phenanthrene, picene, 1,2;8,9-dibenzopentacene, and 7-phenacenes, since these PAHs exhibited the superconductivity when potassium doping into. For tripotassium-doped phenanthrene and picene, we demonstrate the K atomic positions to fit the experimental lattice parameters, and analyze the distinction between the stablest configuration and the fitted experimental one. Based on the first-principles calculations, for the first time, we predict the possible crystal configurations of pristine and tripotassium-doped 1,2;8,9-dibenzopentacene and 7-phenacenes, respectively. For these four PAHs, the electronic structures after doping are investigated in details. The results show that the electronic characters near the Fermi level are high sensitive to structure. Because of the change of the benzene rings arrangement, the 1,2;8,9-dibenzopentacene exhibits visibly different band structures from other three PAHs. In these metallic PAHs, two bands cross the Fermi level which results in the complicated multiband feature of Fermi surfaces. Fascinatingly, we find that the electronic states of potassium contribute to the Fermi surfaces especially for K-3$d$ electrons, which improves a way to understand this superconductivity. As a result, we suggest that the rigid-band picture is invalidated due to the hybridization between K atoms and PAH molecules as well as the rearrangement and distortion of PAH molecules.

cond-mat.mtrl-sci↗

Half metallic and insulating phases in BN/Graphene lateral heterostructures

We investigate theoretically the electronic structure of graphene and boron nitride (BN) lateral heterostructures, which were fabricated in recent experiments. The first-principles density functional calculation demonstrates that a huge intrinsic transverse electric field can be induced in the graphene nanoribbon region, and depends sensitively on the edge configuration of the lateral heterostructure. The polarized electric field originates from the charge mismatch at the BN-graphene interfaces. This huge electric field can open a significant bang gap in graphene nanoribbon, and lead to fully spinpolarized edge states and induce half-metallic phase in the lateral BN/Graphene/BN heterostructure with proper edge configurations.

cond-mat.mes-hall↗

Resonance, Fermi surface topology, and Superconductivity in Cuprates

The resonance, a collective boson mode, was usually thought to be a possible glue of superconductivity. We argue that it is rather a natural product of the \emph{d}-wave pairing and the Fermi surface topology. A universal scaling $E_{res}/2Δ^{H}_{S}\sim 1.0$ ($Δ_{S}^{H}$ the magnitude of superconducting gap at hot spot) is proposed for cuprates, irrespective of the hole-/electron-doping, low-/high-energy resonance, monotonic/nonmonotonic \emph{d}-wave paring, and the parameters selected. We reveal that there may exist two resonance peaks in the electron-doped cuprates. The low- and high- energy resonance, originated from the contributions of the different intra-band component, is intimately associated with the Fermi surface topology. By analyzing the data of inelastic neutron scattering, we conclude the nonmonotonic \emph{d}-wave superconducting pairing symmetry in the electron-doped cuprates, which is still an open question

cond-mat.supr-con↗

High pressures make Hg a transition metal in a thermodynamically stable solid

The appropriateness of including Hg among the transition metals has been debated for a long time. Although the synthesis of HgF$_{4}$ molecules in gas phase was reported before, the molecules show strong instabilities and dissociate. Therefore, the transition metal propensity of Hg remains an open question. Here, we propose that high pressure provides a controllable method for preparing unusual oxidation states of matter. Using an advanced structure search method based on first-principles electronic structure calculations, we predict that under high pressures, Hg can transfer the electrons in its outmost $d$ shell to F atoms, thereby acting as a transition metal. Oxidation of Hg to the +4 state yielded thermodynamically stable molecular crystals consisting of HgF$_{4}$ planar molecules, a typical geometry for $d^{8}$ metal centers.

cond-mat.mtrl-sci↗

Stability of Metallic Structure in Compressed Solid GeH4

We study the electronic and lattice dynamical properties of compressed solid germane in the pressure range up to 200 GPa with density functional theory. A stable metallic structure, Aba2, with a base-centered orthorhombic symmetry was found to be the lowest enthalpy phase for pressure from 23 to 177 GPa, suggesting an insulator to metal phase transition around 23 GPa. The Aba2 structure is predicted to have higher superconducting transition temperature than SiH4 reported recently, thus presenting new possibilities for exploring high temperature superconductivity in this hydrogen-rich system.

cond-mat.supr-con↗

Potential ultra-incompressible material ReN: first-principles prediction

The structural, elastic and electronic properties of ReN are investigated by first-principles calculations based on density functional theory. Two competing structures, i.e., CsCl-like and NiAs-like structures, are found and the most stable structure, NiAs-like, has a hexagonal symmetry which belongs to space group P63/mmc with a=2.7472 and c=5.8180 Å. ReN with hexagonal symmetry is a metal ultra-incompressible solid and has less elastic anisotropy. The ultra-incompressibility of ReN is attributed to its high valence electron density and strong covalence bondings. Calculations of density of states and charge density distribution, together with Mulliken atomic population analysis, show that the bondings of ReN should be a mixture of metallic, covalent, and ionic bondings. Our results indicate that ReN can be used as a potential ultra-incompressible conductor. In particular, we obtain a superconducting transition temperature T$_c$=4.8 K for ReN.

cond-mat.mtrl-sci↗