123 citations · 1.7k across the 69 of their papers we have counts for
8 papers · 1 filter
Ab initio description of bcc iron with correlation matrix renormalization theory
Jun Liu, Yongxin Yao, Vladimir Antropov +2
We applied the ab initio spin-polarized Correlation Matrix Renormalization Theory (CMRT) to the ferromagnetic state of the bulk BCC iron. We showed that it was capable of reproduci…
Unveiling the effect of Ni on the formation and structure of Earth's inner core
Yang Sun, Mikhail I. Mendelev, Feng Zhang +5
Ni is the second most abundant element in the Earth's core. Yet, its effects on the inner core's structure and formation process are usually disregarded because of its electronic a…
Prediction of superconductivity in metallic boron-carbon compounds from 0 to 100 GPa by high-throughput screening
Feng Zheng, Yang Sun, Renhai Wang +7
Boron carbon compounds have been shown to have feasible superconductivity. In our earlier paper [Zheng et al., Phys. Rev. B 107, 014508 (2023)], we identified a new conventional su…
Structural prediction of Fe-Mg-O compounds at Super-Earth's pressures
Yimei Fang, Yang Sun, Renhai Wang +6
Terrestrial exoplanets are of great interest for being simultaneously similar to and different from Earth. Their compositions are likely comparable to those of solar-terrestrial ob…
Ab-initio Simulations of Coherent Phonon-Induced Pumping of Carriers in Zirconium Pentatelluride
Tao Jiang, Peter P. Orth, Liang Luo +7
Laser-driven coherent phonons can act as modulated strain fields and modify the adiabatic ground state topology of quantum materials. Here we use time-dependent first-principles an…
Machine learning guided discovery of superconducting calcium borocarbides
Chao Zhang, Hui Tang, Chen Pan +4
Pursuit of superconductivity in light-element systems at ambient pressure is of great experimental and theoretical interest. In this work, we combine a machine learning (ML) method…
Structure and dynamics of Fe90Si3O7 liquids close to Earth's liquid core conditions
Ling Tang, Chao Zhang, Yang Sun +3
Using an artificial neural-network machine learning interatomic potential, we have performed molecular dynamics simulations to study the structure and dynamics of Fe90Si3O7 liquid…
Imaging Stacking-Dependent Surface Plasmon Polaritons in Trilayer Graphene
Yilong Luan, Jun Qian, Minsung Kim +6
We report a nano-infrared (IR) imaging study of trilayer graphene (TLG) with both ABA (Bernal) and ABC (rhombohedral) stacking orders using the scattering-type scanning near-field…