21 citations · 87 across the 13 of their papers we have counts for
13 papers
Importance of pressure-dependent electronic interactions and magnetic order on pressure-driven insulator-metal transitions in MnO and NiO
Bei-Lei Liu, Yue-Chao Wang, Yuan-Ji Xu +3
The pressure-driven insulator-metal transition is a crucial topic in condensed matter physics. However, even for the prototypical strongly correlated system, NiO, the critical pres…
Self-consistent pressure-dependent on-site Coulomb correction for zero-temperature equations of state of -electron metals
Bei-Lei Liu, Yue-Chao Wang, Xing-Yu Gao +2
The -electron materials have many unique properties under pressure, thus of great interest in high-pressure physics and related industrial fields. However, the -electrons pos…
Mechanism of magnetic phase transition in correlated magnetic metal: insight into itinerant ferromagnet FeGeTe
Yuanji Xu, Yuechao Wang, Xintao Jin +4
Developing a comprehensive magnetic theory for correlated itinerant magnets poses challenges due to the difficulty in reconciling both local moments and itinerant electrons. In thi…
Phase-field simulations of the effect of temperature and interface for zirconium $δ\mbox{-}$hydrides
Zi-Hang Chen, Jie Sheng, Yu Liu +8
Hydride precipitation in zirconium cladding materials can damage their integrity and durability.Service temperature and material defects have a significant effect on the dynamic gr…
Doubly screened Coulomb correction approach for strongly correlated systems
Bei-Lei Liu, Yue-Chao Wang, Yu Liu +2
Strongly correlated systems containing d/f-electrons present a challenge to conventional density functional theory (DFT), such as the widely used local density approximation (LDA)…
A multiphase-field model for simulating the hydrogen-induced multi-spot corrosion on the surface of polycrystalline metals: Application to uranium metal
Jie Sheng, Yu Liu, Xiao-Ming Shi +8
Hydrogen-induced multi-spot corrosion on the surface of polycrystalline rare metals is a complex process, which involves the interactions between phases (metal, hydride and oxide),…
Node-line Dirac semimetal manipulated by Kondo mechanism in nonsymmorphic CePtSi
Hao-Tian Ma, Xing Ming, Xiao-Jun Zheng +4
Dirac node lines (DNLs) are characterized by Dirac-type linear crossings between valence and conduction bands along one-dimensional node lines in the Brillouin zone (BZ). Spin-orbi…
Comparative study of first-principles approaches for effective Coulomb interaction strength between localized -electrons: lanthanide metals as an example
Bei-Lei Liu, Yue-Chao Wang, Yu Liu +6
As correlation strength has a key influence on the simulation of strongly correlated materials, many approaches have been proposed to obtain the parameter using first-principles ca…
The effect of - hybridization on the phase transition of cerium studied by lanthanum doping
Yong-Huan Wang, Yun Zhang, Yu Liu +19
The hybridization between the localized 4 level () with conduction () states in -Ce upon cooling has been previously revealed in single crystalline thin films experimen…
A Phase-field model for simulating hydrogen-induced pitting corrosion with solid-solid phase transformation in the metal
Jie Sheng, Yue-Chao Wang, Yu Liu +6
Hydrogen-induced pitting corrosion of metallic is a common phenomenon that damages the integrity and durability of the materials. Its numerical simulation is still a challenge due…
The underestimation of high pressure in DFT+ simulation for the wide range cold-pressure of lanthanide metals
Yue-Chao Wang, Bei-Lei Liu, Yu Liu +7
Density functional theory plus (DFT+) is one of the most efficient first-principles methods to simulate the cold pressure properties of strongly-correlated materials. Howeve…
The first-principles research on the role of surface in the heavy fermion compound CeRhSi
Yue-Chao Wang, Yuan-Ji Xu, Yu Liu +6
In the heavy fermion materials, the characteristic energy scales of many exotic strongly correlated phenomena (Kondo effect, magnetic order, superconductivity, etc.) are at milli-e…
Kondo scenario of the γ-α phase transition in single crystalline Cerium thin films
Xie-Gang Zhu, Yu Liu, Ya-Wen Zhao +17
The physical mechanism driving the - phase transition of face-centre-cubic (fcc) cerium (Ce) remains controversial until now. In this work, high quality single crystalline fc…