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Hai-Qing Lin

Publications and source records attributed to Hai-Qing Lin.

At least 127 records · Page 7Linked to original sources

Possible Triplet $p+ip$ Superconductivity in Graphene at Low Filling

We study the Hubbard model on the honeycomb lattice with nearest-neighbor hopping ($t>0$) and next-nearest-neighbor one ($t'<0$). When $t'<-t/6$, the single-particle spectrum is featured by the continuously distributed Van-Hove saddle points at the band bottom, where the density of states diverges in power-law. We investigate possible unconventional superconductivity in such system with Fermi level close to the band bottom by employing both random phase approximation and determinant quantum Monte-Carlo approaches. Our study reveals a possible triplet $p+ip$ superconductivity in this system with appropriate interactions. Our results might provide a possible route to look for triplet superconductivity with relatively-high transition temperature in a low-filled graphene and other similar systems.

cond-mat.str-el↗

Ground state properties of a Tonks-Girardeau Gas in a periodic potential

In this paper, we investigate the ground-state properties of a bosonic Tonks-Girardeau gas confined in a one-dimensional periodic potential. The single-particle reduced density matrix is computed numerically for systems up to $N=265$ bosons. Scaling analysis of the occupation number of the lowest orbital shows that there are no Bose-Einstein Condensation(BEC) for the periodically trapped TG gas in both commensurate and incommensurate cases. We find that, in the commensurate case, the scaling exponents of the occupation number of the lowest orbital, the amplitude of the lowest orbital and the zero-momentum peak height with the particle numbers are 0, -0.5 and 1, respectively, while in the incommensurate case, they are 0.5, -0.5 and 1.5, respectively. These exponents are related to each other in a universal relation.

cond-mat.stat-mech↗

Pressure-induced Superconductivity in CaC2

Carbon can exist as isolated dumbbell, one-dimensional (1D) chain, 2D plane, and 3D network in carbon solids or carbon-based compounds, which attributes to its rich chemical binding way, including sp-, sp2-, and sp3-hybridized bonds. Sp2 hybridizing carbon always captures special attention due to its unique physical and chemical property. Here, using evolutionary algorithm in conjunction with ab initio method, we found that under compression, dumbbell carbon in CaC2 can be polymerized firstly into one-dimensional chain and then into ribbon and further into two dimensional graphite sheet at higher pressure. The C2m structure transforms into an orthorhombic Cmcm phase at 0.5 GPa, followed by another orthorhombic Immm phase, which is stabilized at wide pressure range of 15.2-105.8 GPa and then forced into MgB2-type phase with wide range stability up to at least 1 TPa. Strong electron-phonon coupling in cold compressed CaC2 is found, in particular for Immm phase, which has the highest lambda value (0.562-0.564) among them, leading to its high superconducting critical temperature (7.9~9.8 K), wihich is comparable to 11.5K value of CaC6. Our research results show that calcium can not only stabilize carbon sp2 hybridization at larger range of pressure but make them present superconducting behavior, which would further ignite experimental and theoretical research interests on Alkali-Earth metal carbides to uncover their peculiar physical properties under extreme conditions.

cond-mat.supr-con↗

Probing the non-locality of Majorana fermions via quantum correlations

Majorana fermions (MFs) are exotic particles that are their own anti-particles. Recently, the search for the MFs occurring as quasi-particle excitations in solid-state systems has attracted widespread interest, because of their fundamental importance in fundamental physics and potential applications in topological quantum computation based on solid-state devices. Here we study the quantum correlations between two spatially separate quantum dots induced by a pair of MFs emerging at the two ends of a semiconductor nanowire, in order to develop a new method for probing the MFs. We find that without the tunnel coupling between these paired MFs, quantum entanglement cannot be induced from an unentangled (i.e., product) state, but quantum discord is observed due to the intrinsic nonlocal correlations of the paired MFs. This finding reveals that quantum discord can indeed demonstrate the intrinsic non-locality of the MFs formed in the nanowire. Also, quantum discord can be employed to discriminate the MFs from the regular fermions. Furthermore, we propose an experimental setup to measure the onset of quantum discord due to the nonlocal correlations. Our approach provides a new, and experimentally accessible, method to study the Majorana bound states by probing their intrinsic non-locality signature.

quant-ph↗

Fidelity susceptibilities in the one-dimensional extended Hubbard model

We investigated the fidelity susceptibility in the one-dimension (1D) Hubbard model and the extended Hubbard model at half-filling via the density matrix renormalization group. From the numerical results, we argue that in the 1D Hubbard model, the fidelity susceptibility shows a divergence at two points which is infinitesimally close to the critical point while it is always extensive exactly at the critical point. For the extended Hubbard model, we found that for a properly chosen driving parameter, the fidelity susceptibility is able to reveal the quantum phase transitions between the PS (phase separation)-superconducting, superconducting-CDW (charge-density wave), CDW-SDW(spin-density wave), SDW-PS, CDW-BOW (bond-order wave), and the BOW-SDW phases.

cond-mat.str-el↗

Density Matrix Spectra and Order Parameters in the 1D Extended Hubbard Model

Without any knowledge of the symmetry existing in the system, we derive the exact forms of the order parameters which show long-range correlation in the ground state of the one-dimensional extended Hubbard model using a quantum information approach. Our work demonstrates that the quantum information approach can help us to find the explicit form of the order parameter, which cannot be derived systematically via traditional methods in the condensed matter theory.

cond-mat.str-el↗

Electronic Bloch oscillation in bilayer graphene gradient superlattices

We investigate the electronic Bloch oscillation in bilayer graphene gradient superlattices using transfer matrix method. By introducing two kinds of gradient potentials of square barriers along electrons propagation direction, we find that Bloch oscillations up to terahertz can occur. Wannier-Stark ladders, as the counterpart of Bloch oscillation, are obtained as a series of equidistant transmission peaks, and the localization of the electronic wave function is also signature of Bloch oscillation. Forthermore, the period of Bloch oscillation decreases linearly with increasing gradient of barrier potentials.

cond-mat.mes-hall↗

Magnetism and Superconductivity in Iron-based Superconductors Decided by Condensed Particle-hole Excitations away from the Fermi Level

The origin of magnetism and superconductivity in iron-based superconductors is still unclear. Here, by investigating the momentum-dependent particle-hole excitations which quantify the tendency of itinerant electrons towards various magnetic states or superconducting phases, we unravel a novel origin to account for the variety of physical properties of iron-based compounds. We show that condensation of particle-hole excitations away from the Fermi surface in momentum space is the underlying mechanism in deciding the magnetic and superconducting properties of iron-based materials. The applicability of this scenario to the whole family of iron-based superconductors suggests that inclusion of the orbital degrees of freedom, which may lead to competing tendencies towards different magnetically ordered states, is more crucial than taking into account the strong correlations. Our findings further indicate that in order to properly model these materials, the electronic states away from the Fermi level have to be considered.

cond-mat.supr-con↗

Anisotropic Fabry-Pérot resonant states confined within nano-steps on the topological insulator surface

The peculiar nature of topological surface states, such as absence of backscattering, weak anti-localization, and quantum anomalous Hall effect, has been demonstrated mainly in bulk and film of topological insulator (TI), using surface sensitive probes and bulk transport probes. However, it is equally important and experimentally challenging to confine massless Dirac fermions with nano-steps on TI surfaces. This potential structure has similar ground with linearly-dispersed photons in Fabry-Pérot resonators, while reserving fundamental differences from well-studied Fabry-Pérot resonators and quantum corrals on noble metal surfaces. In this paper, we study the massless Dirac fermions confined within steps along the $x$ ($Γ\mathtt{-}$K) or $y$ ($Γ\mathtt{-}$M) direction on the TI surface, and the Fabry-Pérot-like resonances in the electronic local density of states (LDOS) between the steps are found. Due to the remarkable warping effect in the topological surface states, the LDOS confined in the step-well running along $Γ$-M direction exhibit anisotropic resonance patterns as compared to those in the step-well along $Γ$-K direction, which can be detected by scanning tunneling microscopy. The transmittance properties and spin orientation of Dirac fermion in both cases are also anisotropic in the presence of warping effect.

cond-mat.mes-hall↗

Identification of the crystal structures of two superconducting phases for potassium-doped picene

By the first principles calculations and X-ray diffraction simulations, we perform a systematic study of multiple superconducting phases of potassium-doped picene [Nature {\bf464} 76, 2010]. The combination of optimized lattice parameters, formation energy, and simulated X-ray diffraction spectra indicates that the superconducting phase with transition temperature (T$_c$) of 7 K corresponds to a charge doped K$_2$picene, which is semiconducting with a 0.1 eV energy gap, while the superconducting phase with T$_c$=18 K corresponds to a metallic K$_3$picene. The distinct crystal and electronic structures of K$_2$picene and K$_3$picene provide a reasonable explanation of two superconducting phases in potassium-doped picene.

cond-mat.supr-con↗

Orbital Selective Phase Transition

We review theoretical investigations on the origin of the orbital selective phase where localized and itinerant electrons coexist in the d shell at intermediate strength of the on-site Coulomb interactions between electrons. In particular, the effect of spatial fluctuations on the phase diagram of the two-orbital Hubbard model with unequal bandwidths is discussed. And different band dispersions in different orbitals as well as different magnetically ordered states in different orbitals which are responsible for orbital selective phase transitions are emphasized. This is due to the fact that these two mechanisms are independent of the Hund's rule coupling, and are completely distinct from other well-known mechanisms like orbitals of unequal bandwidths and orbitals with different degeneracies. Moreover, crystal field splitting is not required in these two recently proposed mechanisms.

cond-mat.str-el↗

Ba$_2$phenanthrene is the main component in the Ba-doped phenanthrene sample

We systematically investigate the crystal structure of Ba-doped phenanthrene with various Ba doping levels by the first principle calculation method combining with the X-ray diffraction (XRD) spectra simulation. The optimized lattice parameters and the simulated XRD spectra of Ba$_2$phenanthrene are in good agreement with the experiment ones, and the strength difference of a few of XRD peaks can be explained by the existence of undoped phenanthrene in the experimental sample. Although the stoichiometry ratio of Ba atom and phenanthrene molecule is 1.5:1, the simulated XRD spectra, space group symmetry and the optimized lattice parameters of Ba$_{1.5}$phenanthrene are not consistent to the measured values. The sample of Ba-doped phenanthrene is deduced to be the mixture of Ba$_2$phenanthrene and some amount of undoped phenanthrene, instead of uniform Ba$1.5$phenanthrene. Our calculations indicate that Ba$_2$phenanthrene is a semiconductor with a small energy gap less than 0.05 eV. Our findings provide the fundamental information of crystal structure and electronic properties of Ba-doped phenanthrene superconductor.

cond-mat.supr-con↗

A site-selective antiferromagnetic ground state in layered pnictide-oxide BaTi2As2O

The electronic and magnetic properties of BaTi$_{2}$As$_{2}$O have been investigated using both the first-principles and analytical methods. The full-potential linearized augmented plane-wave calculations show that the most stable state is a site-selective antiferromagnetic (AFM) metal with a $\text{2}\times \text{1}\times \text{1}$ magnetic unit cell containing two nonmagnetic Ti atoms and two other Ti atoms with antiparallel moments. Further analysis to Fermi surface and spin susceptibility shows that the site-selective AFM ground state is driven by the Fermi surface nesting and the Coulomb correlation. Meanwhile, the charge density distribution remains uniform, suggesting that the phase transition at $200$ K in experiment is a spin-density-wave (SDW) transition.

cond-mat.supr-con↗

The Pairing of Spin-orbit Coupled Fermi Gas in Optical Lattice

We investigate Rashba spin-orbit coupled Fermi gases in square optical lattice by using the determinant quantum Monte Carlo (DQMC) simulations which is free of the sign-problem. We show that the Berezinskii-Kosterlitz-Thoules phase transition temperature is firstly enhanced and then suppressed by spin-orbit coupling in the strong attraction region. In the intermediate attraction region, spin-orbit coupling always suppresses the transition temperature. We also show that the spin susceptibility becomes anisotropic and retains finite values at zero temperature.

cond-mat.quant-gas↗

Formation of Nanofoam carbon and re-emergence of Superconductivity in compressed CaC6

Pressure can tune material's electronic properties and control its quantum state, making some systems present disconnected superconducting region as observed in iron chalcogenides and heavy fermion CeCu2Si2. For CaC6 superconductor (Tc of 11.5 K), applying pressure first Tc increases and then suppresses and the superconductivity of this compound is eventually disappeared at about 18 GPa. Here, we report a theoretical finding of the re-emergence of superconductivity in heavily compressed CaC6. The predicted phase III (space group Pmmn) with formation of carbon nanofoam is found to be stable at wide pressure range with a Tc up to 14.7 K at 78 GPa. Diamond-like carbon structure is adhered to the phase IV (Cmcm) for compressed CaC6 after 126 GPa, which has bad metallic behavior, indicating again departure from superconductivity. Re-emerged superconductivity in compressed CaC6 paves a new way to design new-type superconductor by inserting metal into nanoporous host lattice.

cond-mat.supr-con↗

Van der Waals density functional study of the structural and electronic properties of La-doped phenanthrene

By the first principles calculations based on the van der Waals density functional theory, we study the crystal structures and electronic properties of La-doped phenanthrene. Two stable atomic geometries of La$_1$phenanthrene are obtained by relaxation of atomic positions from various initial structures. The structure-\uppercase\expandafter{\romannumeral1} is a metal with two energy bands crossing the Fermi level, while the structure-\uppercase\expandafter{\romannumeral2} displays a semiconducting state with an energy gap of 0.15 eV, which has an energy gain of 0.42 eV per unit cell compared to the structure-\uppercase\expandafter{\romannumeral1}. The most striking feature of La$_1$phenanthrene is that La $5d$ electrons make a significant contribution to the total density of state (DOS) around the Fermi level, which is distinct from potassium doped phenanthrene and picene. Our findings provide an important foundation for the understanding of superconductivity in La-doped phenanthrene.

cond-mat.supr-con↗

Constrain on superconductivity of potassium intercalated phenanthrene

Raman-scattering measurements are performed in K${_x}$phenanthrene with the nominal value ${x}$ ranging from 0 to 6.0 at room temperature. Based on the Raman spectra, two phases (${x}$ = 3.0 and 4.0) are observed among the K${_x}$phenanthrene, and the immediate phase (${x}$ = 3.5) is produced. Only the ${x}$ = 3.0 phase is found to exhibit the superconducting transition at 5 K. The C-C stretching mods are observed to broaden and become disorder in K${_x}$phenanthrene (nominal value ${x}$ =2.0, 2.5, 6.0), indicating some molecular disorder in the metal intercalation process. This disorder is expected to influence the nonmetallic nature of these materials. The absence of metallic characteristics in those nonsuperconducting phases is provided from the calculated electronic structures based on the local density approximation.

cond-mat.supr-con↗

Spin-spin interaction in the bulk of topological insulators

We apply mean-field theory and Hirsch-Fye quantum Monte Carlo method to study the spin-spin interaction in the bulk of three-dimensional topological insulators. We find that the spin-spin interaction has three different components: the longitudinal, the transverse and the transverse Dzyaloshinskii-Moriya-like terms. When the Fermi energy is located in the bulk gap of topological insulators, the spin-spin interaction decays exponentially due to Bloembergen-Rowland interaction. The longitudinal correlation is antiferromagnetic and the transverse correlations are ferromagnetic. When the chemical potential is in the conduction or valence band, the spin-spin interaction follows power law decay, and isotropic ferromagnetic interaction dominates in short separation limit.

cond-mat.str-el↗