arXiv subjects

Li Huang

Publications and source records attributed to Li Huang.

At least 163 records · Page 9Linked to original sources

arXiv2016

Pressure-driven 4$f$ localized-itinerant crossover in heavy fermion compound CeIn$_{3}$: A first-principles many-body perspective

The localized-itinerant nature of Ce-4$f$ valence electrons in heavy fermion compound CeIn$_{3}$ under pressure is studied thoroughly by means of the combination of density functional theory and single-site dynamical mean-field theory. The detailed evolutions of electronic structures of CeIn$_{3}$, including total and partial density of states, momentum-resolved spectral functions, and valence state histograms etc., are calculated in a wide pressure range where the corresponding volume compression $V/V_0 \in [0.6,1.0]$ (here $V_0$ is the experimental crystal volume) at $T \cong 116$ K. Upon increasing pressure, two strong peaks associated with the Ce-$4f$ states emerge near the Fermi level, and the $c$-$f$ hybridization and valence state fluctuation are enhanced remarkably. Moreover, the kinetic and potential energies raise, while the occupancy, total angular momentum, and low-energy scattering rate of the Ce-$4f$ electrons decline with respect to pressure. All the physical observables considered here exhibit prominent kinks or fluctuations in $V/V_0 \in [0.80,0.90]$, which are probably the desired fingerprints for the Ce-4$f$ localized-itinerant crossover.

cond-mat.str-el↗

arXiv2016

Detecting phase transitions and crossovers in Hubbard models using the fidelity susceptibility

A generalized version of the fidelity susceptibility of single-band and multi-orbital Hubbard models is systematically studied using single-site dynamical mean-field theory in combination with a hybridization expansion continuous-time quantum Monte Carlo impurity solver. We find that the fidelity susceptibility is extremely sensitive to changes in the state of the system. It can be used as a numerically inexpensive tool to detect and characterize a broad range of phase transitions and crossovers in Hubbard models, including (orbital-selective) Mott metal-insulator transitions, high-spin to low-spin transitions, Fermi-liquid to non-Fermi-liquid crossovers, and spin-freezing crossovers.

cond-mat.str-el↗

arXiv2016

Interpreting $750$ GeV Diphoton Excess with R-parity Violating Supersymmetry

We propose an supersymmetric explanation of the diphoton excess in the Minimal Supersymmetric Standard Model with the leptonic R-parity violation. Where the sneutrino serves as the 750 GeV resonance and produced through quark anti-quark annihilation. With introducing appropriate trilinear soft parameters, we show that the diphoton branching ratio is significantly enhanced compared with the conventional MSSM. The parameter space favored by diphoton excess strongly indicates the mass of smuon and stau fall into the range $375-410$ (375-480) GeV, which depending on the electroweakino masses. In addition, the $R$-parity-violating trilinear couplings involved with second generation quarks are both favored by compatibility of diphoton excess and low-energy constraints.

hep-ph↗

arXiv2016

Second post-Newtonian Lagrangian dynamics of spinning compact binaries

The leading-order spin-orbit coupling is included in a post-Newtonian Lagrangian formulation of spinning compact binaries, which consists of the Newtonian term, first post-Newtonian (1PN) and 2PN non-spin terms and 2PN spin-spin coupling. This makes a 3PN spin-spin coupling occur in the derived Hamiltonian. The spin-spin couplings are mainly responsible for chaos in the Hamiltonians. However, the 3PN spin-spin Hamiltonian is small and has different signs, compared with the 2PN spin-spin Hamiltonian equivalent to the 2PN spin-spin Lagrangian. As a result, the probability of the occurrence of chaos in the Lagrangian formulation without the spin-orbit coupling is larger than that in the Lagrangian formulation with the spin-orbit coupling. Numerical evidences support the claim.

gr-qc↗

arXiv2016

Systematic Study of Diphoton Resonance at 750 GeV from Sgoldstino

The ATLAS and CMS Collaborations of the Large Hadron Collider (LHC) have reported an excess of events in diphoton channel with invariant mass of about 750 GeV. With low energy supersymmetry breaking, we systematically consider the sgoldstino scalar $S$ as the new resonance, which is a linear combination of the CP-even scalar $s$ and CP-odd pseudoscalar $a$. Because we show that $s$ and $a$ can be degenerated or have large mass splitting, we consider two cases for all the following three scenarios: (1) Single resonance. $s$ is the 750 GeV resonance decays to a pair of 1 GeV pseudoscalar $a$. With suitable decay length, these two $a$ decay into collimated pair of photons which cannot be distinguished at the LHC and may appear as diphotons instead of four photons. (2) Twin resonances. $m_{s}\approx m_{a}$ with a mass difference of about 40 GeV and both $s$ and $a$ decay into diphoton pairs. For productions, we consider three scenarios: (I) vector boson fusion; (II) gluon gluon fusion; (III) $q{\bar q}$ pair production. In all these scenarios with two kinds of resonances, we find the parameter space that satisfies the diphoton production cross section from 3 to 13 ${\rm fb}$ and all the other experimental constraints. And we address the decay width as well. In particular, in the third scenario, we observe that the production cross section is small but the decay width of $s$ or $a$ can be from 40 to 60 GeV.

hep-ph↗

arXiv2016

Doping-driven orbital-selective Mott transition in multi-band Hubbard models with crystal field splitting

We have studied the doping-driven orbital-selective Mott transition in multi-band Hubbard models with equal band width in the presence of crystal field splitting. Crystal field splitting lifts one of the bands while leaving the others degenerate. We use single-site dynamical mean-field theory combined with continuous time quantum Monte Carlo impurity solver to calculate a phase diagram as a function of total electron filling $N$ and crystal field splitting $Δ$. We find a large region of orbital-selective Mott phase in the phase diagram when the doping is large enough. Further analysis indicates that the large region of orbital-selective Mott phase is driven and stabilized by doping. Such models may account for the orbital-selective Mott transition in some doped realistic strongly correlated materials.

cond-mat.str-el↗

arXiv2015

A Promising Interpretation of Diphoton Resonance at 750 GeV

Recently, an excess of events in diphoton channel with invariant mass of about 750 GeV has been reported by the ATLAS and CMS Collaborations. Considering it as a tantalizing hint for new physics beyond the Standard Model (SM), we propose a simple extension of the SM with an additional doublet Higgs $H^{'}$ and a singlet $s$. We consider the neutral component $H^{\prime }_0$ of $H'$ as the 750 GeV resonance, and assume that $s$ is lighter than 2.6 GeV. In particular, $H^{\prime }_0$ can be produced at tree level via $q{\bar q}$ production, and decay into a pair of $s$ at tree level. And then $s$ can decay into a pair of collimated photons, which cannot be distinguished at the LHC. We show that the diphoton production cross section can be from 3 to 13 ${\rm fb}$, the decay width of $H^{\prime }_0$ can be from 30 to 60 GeV, and all the current experimental constraints including dijet constraint can be satisfied.

hep-ph↗

arXiv2015

Induced effects by the substitution of Zn in Cu2ZnSnX4 (X = S and Se)

Based on the density functional theory with hybrid functional approach, we have studied the structural and thermodynamic stabilities of Cu2MSnX4 (M = Zn, Mg, and Ca; X = S and Se) alloy, and have further investigated the electronic and optical properties of stable Cu2MgSnS4 and Cu2MgSnSe4 phases. Thermal stability analysis indicates that Cu2MgSnS4 and Cu2MgSnSe4 are thermodynamically stable, while Cu2CaSnS4 and Cu2CaSnSe4 are unstable. The ground state configuration of the compound changes from kesterite into stannite structure when Zn atoms are substitued by larger Mg or Ca atoms. An energy separation between stannite and kesterite phase similar to that of CZTS is observed. Calculated electronic structures and optical properties suggest that Cu2MgSnS4 and Cu2MgSnSe4 can be efficient photovoltaic materials.

cond-mat.mtrl-sci↗

arXiv2015

Transition metals doped CuAlSe2 for promising intermediate band materials

Introducing an isolated intermediate band (IB) into a wide band gap semiconductor can potentially improve the optical absorption of the material beyond the Shockley-Queisser limitation for solar cells. Here, we present a systematic study of the thermodynamic stability, electronic structures, and optical properties of transition metals (M = Ti, V, and Fe) doped CuAlSe2 for potential IB thin film solar cells, by adopting the first-principles calculation based on the hybrid functional method. We found from chemical potential analysis that for all dopants considered, the stable doped phase only exits when the Al atom is substituted. More importantly, with this substitution, the IB feature is determined by $3d$ electronic nature of M^{3+} ion, and the electronic configuration of 3d^1 can drive a optimum IB that possesses half-filled character and suitable subbandgap from valence band or conduction band. We further show that Ti-doped CuAlSe2 is the more promising candidate for IB materials since the resulted IB in it is half filled and extra absorption peaks occurs in the optical spectrum accompanied with a largely enhanced light absorption intensity. The result offers a understanding for IB induced by transition metals into CuAlSe2 and is significant to fabricate the related IB materials.

cond-mat.mtrl-sci↗

arXiv2015

On the dangers of partial diagrammatic summations: Benchmarks for the two-dimensional Hubbard model in the weak-coupling regime

We study the two-dimensional Hubbard model in the weak-coupling regime and compare the self-energy obtained from various approximate diagrammatic schemes to the result of diagrammatic Monte Carlo simulations, which sum up all weak-coupling diagrams up to a given order. While dynamical mean-field theory provides a good approximation for the local part of the self-energy, including its frequency dependence, the partial summation of bubble and/or ladder diagrams typically yields worse results than second order perturbation theory. Even widely used self-consistent schemes such as GW or the fluctuation-exchange approximation (FLEX) are found to be unreliable. Combining the dynamical mean-field self-energy with the nonlocal component of GW in GW+DMFT yields improved results for the local self-energy and nonlocal self-energies of the correct order of magnitude, but here, too, a more reliable scheme is obtained by restricting the nonlocal contribution to the second order diagram. FLEX+DMFT is found to give accurate results in the low-density regime, but even worse results than FLEX near half-filling.

cond-mat.str-el↗

arXiv2015

Orbital-Selective Mott Transition and Evolution of the Zhang-Rice State in Cubic Phase UO$_{2}$ Under Pressure

We study the electronic structure of cubic phase uranium dioxide at different volumes using a combination of density functional theory and dynamical mean-field theory. The \emph{ab initio} calculations predict an orbital-selective Mott insulator-metal transition at a moderate pressure of $\approx 45$ GPa. At this pressure the $j=5/2$ states become metallic, while the $j=7/2$ states remain insulating up to about 60 GPa. In the metallic state, we observe a rapid decrease of the 5$f$ occupation and total angular momentum with pressure. Simultaneously, the generalized Zhang-Rice state, which is of predominantly $j=5/2$ character, quickly disappears after the transition into the metallic phase.

cond-mat.str-el↗

arXiv2015

$i$QIST: An open source continuous-time quantum Monte Carlo impurity solver toolkit

Quantum impurity solvers have a broad range of applications in theoretical studies of strongly correlated electron systems. Especially, they play a key role in dynamical mean-field theory calculations of correlated lattice models and realistic materials. Therefore, the development and implementation of efficient quantum impurity solvers is an important task. In this paper, we present an open source interacting quantum impurity solver toolkit (dubbed $i$QIST). This package contains several highly optimized quantum impurity solvers which are based on the hybridization expansion continuous-time quantum Monte Carlo algorithm, as well as some essential pre- and post-processing tools. We first introduce the basic principle of continuous-time quantum Monte Carlo algorithm and then discuss the implementation details and optimization strategies. The software framework, major features, and installation procedure for $i$QIST are also explained. Finally, several simple tutorials are presented in order to demonstrate the usage and power of $i$QIST.

cond-mat.str-el↗

arXiv2015

Graphene-Silicon Layered Structures on Single-crystalline Ir(111) Thin Films

Single-crystalline transition metal films are ideal playing fields for the epitaxial growth of graphene and graphene-base materials. Graphene-silicon layered structures were successfully constructed on Ir(111) thin film on Si substrate with an yttria-stabilized zirconia buffer layer via intercalation approach. Such hetero-layered structures are compatible with current Si-based microelectronic technique, showing high promise for applications in future micro- and nano-electronic devices.

cond-mat.mtrl-sci↗

arXiv2014

Extended dynamical mean-field study of the Hubbard model with long range interactions

Using extended dynamical mean-field theory and its combination with the $GW$ approximation, we compute the phase diagrams and local spectral functions of the single-band extended Hubbard model on the square and simple cubic lattices, considering long range interactions up to the third nearest neighbors. The longer range interactions shift the boundaries between the metallic, charge-ordered insulating and Mott insulating phases, and lead to characteristic changes in the screening modes and local spectral functions. Momentum-dependent self-energy contributions enhance the correlation effects and thus compete with the additional screening effect from longer range Coulomb interactions. Our results suggest that the influence of longer range intersite interactions is significant, and that these effects deserve attention in realistic studies of correlated materials.

cond-mat.str-el↗

arXiv2014

M Times Photon Subtraction-Addition Coherent Superposition Operated Odd-Schrődinger-cat State: Nonclassicality and Decoherence

We introduce a new non-Gaussian state, generated by m times coherent superposition operation $a\cos θ+a^{\dagger }e^{iφ}\sin θ$ (MCSO) on odd-Schrodinger-cat state (OSCS). Its normalized constant is turned out to be related with the Hermite polynomial. We further investigate the nonclassical properties of the MCSO-OSCS through Mandel's Q-parameter, quadrature squeezing, the photocount distribution and Wigner function (WF). It is shown that the nonclassicality of the MCSO-OSCS is influenced by the number of times (m) of coherent superpositon operation, the angle $θ$ and the amplitude of the coherent state (|$α_{0}$|). Especially the volume of negative region of WF increases with the increment of parameters m, $θ$ and $α_{0}$. We also investigate the decoherence of the MCSO-OSCS in terms of the fadeaway of the negativity of WF in a thermal environment.

quant-ph↗

arXiv2014

Epitaxial Growth of Large-area Bilayer Graphene on Ru(0001)

Large-area bilayer graphene (BG) is grown epitaxially on Ru(0001) surface and characterized by low temperature scanning tunneling microscopy. The lattice of the bottom layer of BG is stretched by 1.2%, while strain is absent from the top layer. The lattice mismatch between the two layers leads to the formation of a moire pattern with a periodicity of ~21.5 nm and a mixture of AA- and AB-stacking. The root3 x root3 superstructure around atomic defects is attributed to the inter-valley scattering of the delocalized pi-electrons, demonstrating that the as-grown BG behaves like intrinsic free-standing graphene.

cond-mat.mtrl-sci↗

arXiv2014

Electronic excitation spectra of the five-orbital Anderson impurity model: From the atomic limit to itinerant atomic magnetism

We study the competition of Coulomb interaction and hybridization effects in the five-orbital Anderson impurity model by means of continuous time quantum Monte Carlo, exact diagonalization, and Hartree Fock calculations. The dependence of the electronic excitation spectra and thermodynamic ground state properties on hybridization strength and the form of the Coulomb interaction is systematically investigated for impurity occupation number $N \approx 6$. With increasing hybridization strength, a Kondo resonance emerges, broadens and merges with some of the upper and lower Hubbard peaks. Concomitantly, there is an increase of charge fluctuations at the impurity site. In contrast to the single orbital model, some atomic multiplet peaks and exchange split satellites persist despite strong charge fluctuations. We find that Hund's coupling leads to a state that may be characterized as an itinerant single atom magnet. As the filling is increased, the magnetic moment decreases, but the spin freezing phenomenon persists up to $N\approx 8$. When the hybridization is weak, the positions of atomic ionization peaks are rather sensitive to shifts of the impurity on-site energies. This allows to distinguish atomic ionization peaks from quasiparticle peaks or satellites in the electronic excitation spectra. On the methodological side we show that a comparison between the spectra obtained from Monte Carlo and exact diagonalization calculations is possible if the charge fluctuations are properly adjusted.

cond-mat.str-el↗

arXiv2013

Dynamical Screening Effect on Local Two-Particle Vertex Functions

In principle, the electronic Coulomb interaction among the correlated orbitals is frequency-dependent. Though it is generally believed that the dynamically screened interaction may play a crucial role in understanding the subtle electronic structures of strongly correlated materials, hitherto we know very little about it. In the Letter, we demonstrate that within the framework of single-site dynamical mean-field theory the local two-particle Green's functions $χ$ and vertex functions $Γ$ are strongly modified by the dynamically screened interaction. Since both $χ$ and $Γ$ represent the main ingredients to compute momentum-resolved response functions and to treat non-local spatial correlations by means of diagrammatic extensions of dynamical mean-field theory, it is urgent to reexamine previous results by taking the dynamical screening effect into account. The modifications should be very considerable.

cond-mat.str-el↗