39 citations · 93 across the 13 of their papers we have counts for
13 papers
Impact of electronic correlations on the superconductivity of high-pressure CeH
Siyu Chen, Yao Wei, Bartomeu Monserrat +2
Rare-earth superhydrides have attracted considerable attention because of their high critical superconducting temperature under extreme pressures. They are known to have localized…
Band-Gap Tunability in Anharmonic Perovskite-like Semiconductors Driven by Polar Electron-Phonon Coupling
Pol Benítez, Ruoshi Jiang, Siyu Chen +5
The ability to finely tune optoelectronic properties in semiconductors is crucial for the development of advanced technologies, ranging from photodetectors to photovoltaics. In thi…
Giant Electron-Phonon Coupling Induced Band-Gap Renormalization in Anharmonic Silver Chalcohalide Antiperovskites
Pol Benítez, Siyu Chen, Ruoshi Jiang +6
Silver chalcohalide antiperovskites (CAP), AgXY (X = S, Se; Y = Br, I), are a family of highly anharmonic inorganic compounds with great potential for energy applications. Ho…
Characterization of Spin-Orbit Effects in Superconductors InBi and InSb
Yao Wei, Siyu Chen, Bartomeu Monserrat
We report a first principles computational analysis of two phonon-mediated superconductors, InBi and InSb. We show that spin-orbit coupling leads to splitti…
Origin of competing charge density waves in kagome metal ScVSn
Kang Wang, Siyu Chen, Sun-Woo Kim +1
Understanding competing charge density wave (CDW) orders in the bilayer kagome metal ScVSn remains challenging. Experimentally, upon cooling, short-range order with wave ve…
Temperature effects in topological insulators of transition metal dichalcogenide monolayers
Siyu Chen, Isaac J. Parker, Bartomeu Monserrat
We investigate the role of temperature on the topological insulating state of metal dichalcogenide monolayers, 1T-MX (M=W, Mo and X=S, Se). Using first principles calc…
On the dynamical stability of copper-doped lead apatite
Sun-Woo Kim, Kang Wang, Siyu Chen +5
The recent claim of room temperature superconductivity in a copper-doped lead apatite compound, called LK-99, has sparked remarkable interest and controversy. Subsequent experiment…
High-chirality and multiquaternion Weyl nodes in hexagonal ReO
Siyu Chen, Robert-Jan Slager, Bartomeu Monserrat +1
The formation of two-band nodal points in gapless topological phases, referred to as conventional Weyl nodes, relies solely on translational symmetry. However, when coupled with ot…
Pressure-induced transitions in FePS: Structural, magnetic and electronic properties
Shiyu Deng, Siyu Chen, Bartomeu Monserrat +2
FePS is a prototype van der Waals layered antiferromagnet and a Mott insulator under ambient conditions, which has been recently reported to go through a pressure-induced dimen…
Nonuniform grids for Brillouin zone integration and interpolation
Siyu Chen, Pascal T. Salzbrenner, Bartomeu Monserrat
We present two developments for the numerical integration of a function over the Brillouin zone. First, we introduce a nonuniform grid, which we refer to as the Farey grid, that ge…
Computational prediction of samarium hydride at megabar pressure
Zelong Zhao, Siyu Chen, Bartomeu Monserrat +2
Samarium hydrides, belonging to the broad class of lanthanide polyhydrides, have yet to be experimentally tested at high pressure. In this study, we use random structure searches t…
Manipulation and braiding of Weyl nodes using symmetry-constrained phase transitions
Siyu Chen, Adrien Bouhon, Robert-Jan Slager +1
Weyl semimetals are arguably the most paradigmatic form of a gapless topological phase. While the stability of Weyl nodes, as quantified by their topological charge, has been exten…
Direct band gap and strong Rashba effect in van der Waals heterostructures of InSe and Sb single layers
Dangqi Fang, Siyu Chen, Yaqi Li +1
Van der Waals heterostructures formed by stacking different types of 2D materials are attracting increasing attention due to new emergent physical properties such as interlayer exc…