159 citations · 972 across the 18 of their papers we have counts for
18 papers
Origin of the charge density wave state in BaFeAl
Yuping Li, Mingfeng Liu, Jiangxu Li +7
Recently, a first-order phase transition associated with charge density wave (CDW) has been observed at low temperatures in intermetallic compound BaFeAl. However, this tra…
Transfer learning relaxation, electronic structure and continuum model for twisted bilayer MoTe
Ning Mao, Cheng Xu, Jiangxu Li +6
Large-scale moiré systems are extraordinarily sensitive, with even minute atomic shifts leading to significant changes in electronic structures. Here, we investigate the lattice re…
Layer-by-layer phase transformation in TiO revealed by machine learning molecular dynamics simulations
Mingfeng Liu, Jiantao Wang, Junwei Hu +11
Reconstructive phase transitions involving breaking and reconstruction of primary chemical bonds are ubiquitous and important for many technological applications. In contrast to di…
Symmetry breaking induced insulating electronic state in PbCu(PO)O
Jiaxi Liu, Tianye Yu, Jiangxu Li +5
The recent experimental claim of room-temperature ambient-pressure superconductivity in a Cu-doped lead-apatite (LK-99) has ignited substantial research interest in both experiment…
Maximally Localized Wannier Orbitals, Interaction Models and Fractional Quantum Anomalous Hall Effect in Twisted Bilayer MoTe2
Cheng Xu, Jiangxu Li, Yong Xu +2
We investigate the moiré band structures and the strong correlation effects in twisted bilayer MoTe for a wide range of twist angles, employing a combination of various techniq…
First-principles study on the electronic structure of PbCu(PO)O (=0, 1)
Junwen Lai, Jiangxu Li, Peitao Liu +2
Recently, Lee et al. reported the experimental discovery of room-temperature ambient-pressure superconductivity in a Cu-doped lead-apatite (LK-99) (arXiv:2307.12008, arXiv:2307.120…
Hardness and fracture toughness models by symbolic regression
Jinbin Zhao, Peitao Liu, Jiantao Wang +5
Superhard materials with good fracture toughness have found wide industrial applications, which necessitates the development of accurate hardness and fracture toughness models for…
On parent structures of near-ambient nitrogen-doped lutetium hydride superconductor
Mingfeng Liu, Xiangyang Liu, Jiangxu Li +4
Recently, near-ambient superconductivity has been experimentally evidenced in a nitrogen-doped lutetium hydride by Dasenbrock-Gammon \emph{et al.} [Nature 615, 244 (2023)], which y…
Coexistence of Weyl semimetal and Weyl nodal loop semimetal phases in a collinear antiferromagnet
Jie Zhan, Jiangxu Li, Wujun Shi +2
Antiferromagnets (AFMs) with anomalous quantum responses have lead to new progress for the understanding of their magnetic and electronic structures from symmetry and topology poin…
Two-dimensional Obstructed Atomic Insulators with Fractional Corner Charge in MAZ Family
Lei Wang, Yi Jiang, Jiaxi Liu +6
According to topological quantum chemistry, a class of electronic materials have been called obstructed atomic insulators (OAIs), in which a portion of valence electrons necessaril…
Computation and data driven discovery of topological phononic materials
Jiangxu Li, Jiaxi Liu, Stanley A. Baronett +4
The discovery of topological quantum states marks a new chapter in both condensed matter physics and materials sciences. By analogy to spin electronic system, topological concepts…
Two-dimensional topological semimetal states in monolayers CuGe, FeGe, and FeSn
Liangliang Liu, Chongze Wang, Jiangxu Li +3
Recent experimental realizations of the topological semimetal states in several monolayer systems are very attractive because of their exotic quantum phenomena and technological ap…
Underlying topological Dirac nodal line mechanism of anomalously large electron-phonon coupling strength on Be (0001) surface
Ronghan Li, Jiangxu Li, Lei Wang +4
Beryllium was recently discovered to harbor a Dirac nodal line (DNL) in its bulk phase and the DNL-induced non-trivial drumhead-like surface states (DNSSs) on its (0001) surface, r…
Topological Weyl-like Phonons and Nodal Line Phonons in Graphene
Jiangxu Li, Lei Wang, Jiaxi Liu +3
By means of first-principles calculations and modeling analysis, we have predicted that the traditional 2D-graphene hosts the topological phononic Weyl-like points (PWs) and phonon…
Phononic Weyl Nodal Straight Lines in High-Temperature Superconductor MgB
Qing Xie, Jiangxu Li, Min Liu +4
Based on first-principles calculations, we predict that the superconducting MgB with a AlB-type centrosymmetric lattice host the so-called phononic topological Weyl nodal l…
Coexisted Three-component Bosons and Two-component Weyl Bosons in TiS, ZrSe and HfTe
J. X. Li, Q. Xie, S. Ullah +5
In analogy to various fermions of electrons in topological semimetals, topological mechanical states with two type of bosons, Dirac and Weyl bosons, were reported in some macroscop…
Three-component bosons in TiS, ZrSe and HfTe
Sami Ullah, Jiangxu Li, Ronghan Li +5
Topological semimetals with several types of three-dimensional (3D) fermion of electrons, such as Dirac fermions, Weyl fermions, Dirac nodal lines and triply degenerate nodal point…
Topological nodal line states and a potential catalyst of hydrogen evolution in the TiSi family
Jiangxu Li, Hui Ma, Shaobo Feng +6
Topological nodal line (DNL) semimetals, formed by a closed loop of the inverted bands in the bulk, result in the nearly flat drumhead-like surface states with a high electronic de…