416 citations · 906 across the 14 of their papers we have counts for
7 papers · 1 filter
Data-Efficient Adaptation of DPA-4 Force Fields to DFT+U Energetics: A Case Study in NiO
Fengyu Xie, Peiheng Jiang, Zhicheng Zhong
Foundation machine-learned force fields (MLFFs) are often pretrained on broad materials datasets whose electronic-structure conventions may not reproduce the phase energetics requi…
Temperature-driven structural phase transitions in SmNiO: insights from deep potential molecular dynamics simulations
Guoyong Shi, Fenglin Deng, Ri He +4
The metal-insulator transition (MIT) in rare-earth nickelates exemplifies the intricate coupling between lattice dynamics and electronic effects. This strong interplay makes it cha…
Zero-Point Quantum Diffusion of Proton in Hydrogen-rich Superconductor
Xuejian Qin, Hongyu Wu, Guyong Shi +3
, as a member of hydrogen-rich superconductors, has a superconducting critical temperature of 250 K at high pressures, which exhibits the possibility of solving the long-…
Observation of an Unusual Colossal Anisotropic Magnetoresistance Effect in an Antiferromagnetic Semiconductor
Huali Yang, Qing Liu, Zhaoliang Liao +11
Searching for novel antiferromagnetic materials with large magnetotransport response is highly demanded for constructing future spintronic devices with high stability, fast switchi…
Polarity induced electronic and atomic reconstruction at NdNiO2/SrTiO3 interfaces
Ri He, Peiheng Jiang, Yi Lu +5
Superconductivity has recently been observed in Sr-doped NdNiO2 films grown on SrTiO3. Whether it is caused by or related to the interface remains an open question. To address this…
Stacking tunable interlayer magnetism in bilayer CrI3
Peiheng Jiang, Cong Wang, Dachuan Chen +4
Diverse interlayer tunability of physical properties of two-dimensional layers mostly lies in the covalent-like quasi-bonding that is significant in electronic structures but rathe…
Spin direction controlled electronic band structure in two dimensional ferromagnetic CrI3
Peiheng Jiang, Lei Li, Zhaoliang Liao +2
Manipulating physical properties using the spin degree of freedom constitutes a major part of modern condensed matter physics and is very important for spintronics devices. Using t…