197 citations · 939 across the 30 of their papers we have counts for
30 papers
Synthesizability and Mechanical Properties of High-Entropy Borides: First-Principles and Machine Learning Studies
Luke Moore, Ethan Fox, Bria Storr +4
We perform density functional theory (DFT) calculations to investigate five-metal high-entropy borides (HEBs) in the hexagonal AlB structure, considering all 126 possible eleme…
Evolution of electronic and magnetic properties of SrIrO under strain
Ekaterina M. Parschke, Wei-Chih Chen, Rajyavardhan Ray +1
Motivated by properties-controlling potential of the strain, we investigate strain dependence of structure, electronic and magnetic properties of SrIrO using complementary…
p x n-Type Transverse Thermoelectrics in a Type-II Weyl Semimetal TaIrTe4
Josh Mutch, Wei-Chih Chen, Cheng-Yi Huang +3
p x n-type materials refer to materials with a p-type Seebeck coefficient in one direction and a n-type coefficient in the orthogonal direction. This type of materials allows for a…
Superconducting Phases of the Square-Lattice Extended Hubbard Model
Wei-Chih Chen, Yao Wang, Cheng-Chien Chen
We study the square-lattice extended Hubbard model with on-site and nearest-neighbor interactions by exact diagonalization. We show that non-equilibrium quench dynamics can…
Discovering Superhard B-N-O Compounds by Iterative Machine Learning and Evolutionary Structure Predictions
Wei-Chih Chen, Yogesh K. Vohra, Cheng-Chien Chen
We search for new superhard B-N-O compounds with an iterative machine learning (ML) procedure, where ML models are trained using sample crystal structures from evolutionary algorit…
Dispersionless orbital excitations in (Li,Fe)OHFeSe superconductors
Qian Xiao, Wenliang Zhang, Teguh Citra Asmara +9
The superconducting critical temperature of intercalated iron-selenide superconductor (Li,Fe)OHFeSe (FeSe11111) can be increased to 42 K from 8 K of bulk FeSe. It…
LaN Structural and Topological Transitions Driven by Temperature and Pressure
Wei-Chih Chen, Chia-Min Lin, Joseph Maciejko +1
We study lanthanum mononitride LaN by first-principles calculations. The commonly reported rock-salt structure of symmetry for rare-earth monopnictides is found dynami…
Fluctuating Nature of Light-Enhanced -Wave Superconductivity: A Time-Dependent Variational Non-Gaussian Exact Diagonalization Study
Yao Wang, Tao Shi, Cheng-Chien Chen
Engineering quantum phases using light is a novel route to designing functional materials, where light-induced superconductivity is a successful example. Although this phenomenon h…
Machine Learning and Evolutionary Prediction of Superhard B-C-N Compounds
Wei-Chih Chen, Joanna N. Schmidt, Da Yan +2
We build random forests models to predict elastic properties and mechanical hardness of a compound, using only its chemical formula as input. The model training uses over 10,000 ta…
First-Principles Study of Strain Effect on Thermoelectric Properties of LaP and LaAs
Chia-Min Lin, Wei-Chih Chen, Cheng-Chien Chen
Rare-earth monopnictides have attracted much attention due to their unusual electronic and topological properties for potential device applications. Here, we study rock-salt struct…
Lattice frustration in spin-orbit Mott insulator Sr3Ir2O7 at high pressure
Jianbo Zhang, Dayu Yan, Sorb Yesudhas +13
The intertwined charge, spin, orbital, and lattice degrees of freedom could endow 5d compounds with exotic properties. Current interest is focused on electromagnetic interactions i…
Numerical Investigation of Spin Excitations in a Doped Spin Chain
Ekaterina M. Pärschke, Yao Wang, Brian Moritz +3
We study the doping evolution of spin excitations in a 1D Hubbard model and its downfolded spin Hamiltonians, by using exact diagonalization combined with cluster perturbation theo…
Evidence for a strain tuned topological phase transition in ZrTe5
Joshua Mutch, Wei-Chih Chen, Preston Went +5
A phase transition between topologically distinct insulating phases involves closing and reopening of the bandgap. Close to this topological phase transition, the bulk energy spect…
Theory of Time-Resolved Raman Scattering in Correlated Systems: Ultrafast Engineering of Spin Dynamics and Detection of Thermalization
Yao Wang, Thomas P. Devereaux, Cheng-Chien Chen
Ultrafast characterization and control of many-body interactions and elementary excitations are critical to understanding and manipulating emergent phenomena in strongly correlated…
Influence of Magnetism and Correlation on the Spectral Properties of Doped Mott Insulators
Yao Wang, Brian Moritz, Cheng-Chien Chen +2
Unravelling the nature of doping-induced transition between a Mott insulator and a weakly correlated metal is crucial to understanding novel emergent phases in strongly correlated…
Light-Enhanced Spin Fluctuations and d-Wave Superconductivity at a Phase Boundary
Yao Wang, Cheng-Chien Chen, B. Moritz +1
Time-domain techniques have shown the potential of photo-manipulating existing orders and inducing new states of matter in strongly correlated materials. Using time-resolved exact…
Pressure-Induced Confined Metal from the Mott Insulator Sr3Ir2O7
Yang Ding, Liuxiang Yang, Cheng-Chien Chen +12
The spin-orbit Mott insulator Sr3Ir2O7 provides a fascinating playground to explore insulator-metal transition driven by intertwined charge, spin, and lattice degrees of freedom. H…
Fermionic Symmetry-Protected Topological Phase in a Two-Dimensional Hubbard Model
Cheng-Chien Chen, Lukas Muechler, Roberto Car +2
We study the two-dimensional (2D) Hubbard model using exact diagonalization for spin-1/2 fermions on the triangular and honeycomb lattices decorated with a single hexagon per site.…
The many faces of quantum kagome materials: Interplay of further-neighbour exchange and Dzyaloshinskii-Moriya interaction
Tsezar F. Seman, Cheng-Chien Chen, Rajiv R. P. Singh +1
The field of frustrated magnetism has been enriched significantly by the discovery of various kagome lattice compounds. These materials exhibit a great variety of macroscopic behav…
Origin of Strong Dispersion in Hubbard Insulators
Yao Wang, Krzysztof Wohlfeld, Brian Moritz +5
Using cluster perturbation theory, we explain the origin of the strongly dispersive feature found at high binding energy in the spectral function of the Hubbard model. By comparing…
Spin chain in magnetic field: limitations of the large-N mean-field theory
Krzysztof Wohlfeld, Cheng-Chien Chen, Michel van Veenendaal +1
Motivated by the recent success in describing the spin and orbital spectrum of a spin-orbital chain using a large-N mean-field approximation [Phys. Rev. B 91, 165102 (2015)], we ap…
Numerical exploration of spontaneous broken symmetries in multi-orbital Hubbard models
Y. F. Kung, C. -C. Chen, B. Moritz +3
We study three proposals for broken symmetry in the cuprate pseudogap - oxygen antiferromagnetism, orbital loop currents, and circulating currents involving apex oxygens -…
Fractionalization, entanglement, and separation: understanding the collective excitations in a spin-orbital chain
Cheng-Chien Chen, Michel van Veenendaal, Thomas P. Devereaux +1
Using a combined analytical and numerical approach, we study the collective spin and orbital excitations in a spin-orbital chain under a crystal field. Irrespective of the crystal…
A Novel High-Pressure Monoclinic Metallic Phase of V2O3
Yang Ding, Cheng-Chien Chen, Qiaoshi Zeng +11
Vanadium sesquioxide, V2O3, is a prototypical metal-to-insulator system where, in temperature-dependent studies, the transition always coincides with a corundum-to-monoclinic struc…