224 citations · 469 across the 22 of their papers we have counts for
22 papers
Organizing Principles for Moiré Quantum Matter
Qiaoling Xu, Yifan Gao, Tao Zhang +16
Moiré flat bands in van der Waals bilayers are usually discussed through a small set of mechanisms associated with the and valleys of hexagonal crystals, and more recently…
Quantum geometry and critical temperature enhancement in MgB superconductivity
Yi Jiang, Haoyu Hu, Dumitru Călugăru +13
MgB, a phonon-mediated superconductor with record-high critical temperature K, is revisited to obtain a comprehensive theory of electrons, phonons, and their cou…
Engineering topological flat bands in -valley moiré systems with Ising-type SOC: twisted 1T-ZrS and 1T-SnSe
Hanqi Pi, Yves H. Kwan, Haoyu Hu +8
Twisted moiré superlattices hosting topological flat bands provide a platform to explore the interplay between topology and correlations. Here we investigate topological band struc…
New Crystal Structures Hide in Plain Sight: A Stress Test for AI-Guided Materials Discovery
Xin Zhang, Scott B. Lee, Sudipta Chatterjee +14
New types of crystal structures are discovered only rarely, and the artificial intelligence (AI) models now reshaping materials discovery have so far produced new chemical composit…
Chern-Selective multi-valley Flat Bands in Twisted Mono-Bilayer and Mono-Trilayer MoTe
Ziyue Qi, Hanqi Pi, Yan Zhang +6
The interplay between moiré flat bands originating from different valleys can give rise to a variety of exotic quantum phases. In this work, we investigate the electronic propertie…
Emergent Interacting Phases in the Strong Coupling Limit of Twisted M-Valley Moiré Systems: Application to SnSe
Ming-Rui Li, Dumitru Calugaru, Yi Jiang +10
We construct an interacting Wannier model for both AA-stacked and AB-stacked twisted SnSe2, revealing a rich landscape of correlated quantum phases. For the AA-stacked case, the sy…
Theory of Superconductivity in LaRuSi and Predictions of New Kagome Flat Band Superconductors
Junze Deng, Yi Jiang, Tiago F. T. Cerqueira +14
We present a comprehensive investigation of the flat-band kagome superconductor LaRuSi, which has recently been reported to host charge density wave (CDW) order above room…
A New Moiré Platform Based on M-Point Twisting
Dumitru Călugăru, Yi Jiang, Haoyu Hu +9
We introduce a new class of moiré systems and materials based on monolayers with triangular lattices and low-energy states at the M points of the Brillouin zone. These M-point moir…
2D Theoretically Twistable Material Database
Yi Jiang, Urko Petralanda, Grigorii Skorupskii +30
The study of twisted two-dimensional (2D) materials, where twisting layers create moiré superlattices, has created opportunities for investigating topological phases and strongly c…
Universal Moiré-Model-Building Method without Fitting: Application to Twisted MoTe and WSe
Yan Zhang, Hanqi Pi, Jiaxuan Liu +8
We develop a comprehensive method to construct analytical continuum models for moiré systems directly from first-principle calculations without any parameter fitting. The core idea…
Discovery of a metallic room-temperature d-wave altermagnet KV2Se2O
Bei Jiang, Mingzhe Hu, Jianli Bai +19
Beyond conventional ferromagnetism and antiferromagnetism, altermagnetism is a recently discovered unconventional magnetic phase characterized by time-reversal symmetry breaking an…
First-principles methodology for studying magnetotransport in narrow-gap semiconductors: an application to Zirconium Pentatelluride ZrTe5
Hanqi Pi, Shengnan Zhang, Yang Xu +3
The origin of anomalous resistivity peak and accompanied sign reversal of Hall resistivity of ZrTe has been under debate for a long time. Although various theoretical models ha…
Complex field-, temperature-, and angle-dependent Hall effects from intrinsic Fermi surface revealed by first-principles calculations
ShengNan Zhang, Zhihao Liu, Hanqi Pi +3
The Hall effect, ever intriguing since its discovery, has spurred the exploration of its phenomena, intensified by advances in topology and novel materials. Differentiating the ord…
Bulk Photovoltaic Effects in Helimagnets
Chunmei Zhang, Jian Zhou
The bulk photovoltaic (BPV) effect that converts light into electric current is highly sensitive to the system symmetry and its electronic Bloch wavefunction. To create a sizable n…
Non-centrosymmetric, transverse structural modulation in SrAl4, and elucidation of its origin in the BaAl4 family of compounds
Sitaram Ramakrishnan, Surya Rohith Kotla, Hanqi Pi +13
At ambient conditions SrAl4 adopts the BaAl4 structure type with space group I4/mmm. It undergoes a charge-density-wave (CDW) transition at TCDW = 243 K, followed by a structural t…
Gate-tunable multiband transport in ZrTe5 thin devices
Yonghe Liu, Hanqi Pi, Kenji Watanabe +7
Interest in ZrTe5 has been reinvigorated in recent years owing to its potential for hosting versatile topological electronic states and intriguing experimental discoveries. However…
Magnetic bulk photovoltaic effect as a probe of magnetic structures of
Hanqi Pi, Shuai Zhang, Hongming Weng
The bulk photovoltaic effect (BPVE) is a second-order optical process in noncentrosymmetric materials that converts the light into DC currents. BPVE is classified into shift curren…
Optical spectroscopy and band structure calculations of structural phase transition in the Vanadium-based kagome metal ScVSn
Tianchen Hu, Hanqi Pi, Shuxiang Xu +11
In condensed matter physics, materials with kagome lattice display a range of exotic quantum states, including charge density wave (CDW), superconductivity and magnetism. Recently,…
Linear-in-Frequency Optical Conductivity over a broad range in the three-dimensional Dirac semimetal candidate IrInSe
S. X. Xu, H. Q. Pi, R. S. Li +5
The optical conductivity of the new Dirac semimetal candidate IrInSe is measured in a frequency range from 40 to 30000 cm at temperatures from 300 K down to 10 K. Th…
Highly in-plane anisotropic optical properties of fullerene monolayers
Danwen Yuan, Hanqi Pi, Yi Jiang +8
Both the intrinsic anisotropic optical materials and fullerene-assembled 2D materials have attracted a lot of interests in fundamental science and potential applications. The synth…
Switchable Topological Phase Transition and Novel Nonlinear Optical Properties in ReC2H Monolayer
Chunmei Zhang, Hanqi Pi, Liqin Zhou +4
Extensive investigations on topological phase transition (TPT) in three-dimensional compounds have been done. whereas, rare in two-dimensional systems, let alone noncentrosymmetric…
The Role of Shift Vector in High-Harmonic Generation from Non-Centrosymmetric Topological Insulators under Strong Laser Fields
Chen Qian, Chao Yu, Shicheng Jiang +6
As a promising avenue to obtain new extreme ultraviolet light source and detect electronic properties, high-harmonic generation (HHG) has been actively developed in both theory and…