514 citations · 584 across the 5 of their papers we have counts for
5 papers
Range-Separated Hybrid Functional Pseudopotentials
Yang Yang, Georgia Prokopiou, Tian Qiu +4
Consistency between the exchange-correlation (xc) functional used during pseudopotential construction and planewave-based electronic structure calculations is important for an accu…
Optical signatures of multifold fermions in the chiral topological semimetal CoSi
B. Xu, Z. Fang, M. A. Sánchez-Martínez +12
We report the optical conductivity in high-quality crystals of the chiral topological semimetal CoSi, which hosts exotic quasiparticles known as multifold fermions. We find that th…
A Robust and Unified Solution for Choosing the Phases of Adiabatic States as a Function of Geometry: Extending Parallel Transport Concepts to the cases of Trivial & Near Trivial Crossings
Zeyu Zhou, Zuxin Jin, Tian Qiu +2
We investigate a simple and robust scheme for choosing the phases of adiabatic electronic states smoothly (as a function of geometry) so as to maximize the performance of ab initio…
Epitaxial TiOx Surface in Ferroelectric BaTiO3: Native Structure and Dynamic Patterning at the Atomic Scale
Maya Barzilay, Tian Qiu, Andrew M. Rappe +1
Surfaces and interfaces of ferroelectric oxides exhibit enhanced functionality, and therefore serve as a platform for novel nano and quantum technologies. Experimental and theoreti…
Terahertz-Field-Induced Ferroelectricity in Quantum Paraelectric SrTiO
Xian Li, Tian Qiu, Jiahao Zhang +4
"Hidden phases" are metastable collective states of matter that are typically not accessible on equilibrium phase diagrams. These phases can host exotic properties in otherwise con…