39 citations · 93 across the 13 of their papers we have counts for
3 papers · 1 filter
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…