In: Physical Review B, 2021, vol. 104, no. 3, p. 035125
Black phosphorus is a quasi-two-dimensional layered semiconductor with a narrow direct band gap of 0.3 eV. A giant surface Stark effect can be produced by the potassium doping of black phosphorus, leading to a semiconductor to semimetal phase transition originating from the creation of a strong surface dipole and associated band bending. By using time- and angle-resolved photoemission ...
- Wang, Y....
- Wang, G....
- Wang, Z....
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In: Physical Review B, 2020, vol. 102, no. 19, p. 195103
An antiferromagnetic Hund coupling in multiorbital Hubbard systems induces orbital freezing and an associated superconducting instability, as well as unique composite orders in the case of an odd number of orbitals. While the rich phase diagram of the half-filled three-orbital model has recently been explored in detail, the properties of the doped system remain to be clarified. Here, we...
- Wang, J....
- Wang, M....
- Wang, M....
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In: Physical Review B, 2020, vol. 101, no. 4, p. 045108
We present a strategy to alleviate the sign problem in continuous-time quantum Monte Carlo (CTQMC) simulations of the dynamical-mean-field-theory (DMFT) equations for the spin-orbit-coupled multiorbital Hubbard model. We first identify the combinations of rotationally invariant Hund coupling terms present in the relativistic basis which lead to a severe sign problem. Exploiting the fact that...
- Wang, J....
- Wang, Y....
- Wang, E....
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In: EPL (Europhysics Letters), 2017, vol. 119, no. 5, p. 57007
Understanding the electronic properties of actinide oxides under pressure poses a great challenge for experimental and theoretical studies. Here, we investigate the electronic structure of cubic phase uranium dioxide at different volumes using a combination of density functional theory and dynamical mean-field theory. The ab initio calculations predict an orbital-selective insulator-metal...
- B, 75 (2007) 054111.
[10] Wang J., Ewing R....
- B, 79 (2009) 235125.
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[12] Wang B....
- Mater., 7 (2008)
198.
[43] Huang L., Wang Y. and Dai X., Phys....
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In: Physical Review B, 2017, vol. 96, no. 15, p. 155122
Chern insulators exhibit fascinating properties, which originate from the topologically nontrivial state characterized by the Chern number. How these properties change if the system is quenched between topologically distinct phases is, however, not fully understood. In this paper, we investigate the quench dynamics of the prototypical massive Dirac model for topological insulators in two...
- Wang, X....
- Wang, M....
- Wang, S....
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In: Computer Physics Communications, 2017, vol. 215, p. 128–136
We describe an open-source implementation of the continuous-time hybridization- expansion quantum Monte Carlo method for impurity models with general instantaneous two-body interactions and complex hybridization functions. The code is built on an updated version of the core libraries of ALPS (Applications and Libraries for Physics Simulations) [ALPSCore libraries].
- Wang, Z.Y....
- Wang, D.P....
- Wang and D.P....
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In: Physical Review B, 2016, vol. 94, no. 23, p. 235110
A generalized version of the fidelity susceptibility of single-band and multiorbital 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...
- Wang, Y....
- Wang, H....
- Wang, M....
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In: Physical Review Letters, 2015, vol. 115, no. 15, p. 156401
We study the prototype 5d pyrochlore iridate Y2Ir2O7 from first principles using the local density approximation and dynamical mean-field theory (LDA+DMFT). We map out the phase diagram in the space of temperature, on-site Coulomb repulsion U, and filling. Consistent with experiments, we find that an all-in–all-out ordered insulating phase is stable for realistic values of U. The trigonal...
- We thank Lewin Boehnke, Xi Dai, Li Huang, Hugo
Strand, Jakub Imriska, Yukitoshi Motome, Hongbin Zhang,
Youhei Yamaji, Lei Wang, and Hiroshi Watanabe for the
stimulating discussions and useful comments....
- Wang, Y....
- Wang, B....
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In: Computer Physics Communications, 2015, vol. 195, p. 140–160
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...
- Wang, X....
- Wang, Z....
- Wang, M....
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In: Physical Review Letters, 2013, vol. 110, no. 16, p. 166401
Systems of adatoms on semiconductor surfaces display competing ground states and exotic spectral properties typical of two-dimensional correlated electron materials which are dominated by a complex interplay of spin and charge degrees of freedom. We report a fully ab initio derivation of low-energy Hamiltonians for the adatom systems Si(111):X, with X=Sn, Si, C, Pb, that we solve within...
- Wang, X....
- Wang, X....
- Wang, Y....
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