115 citations · 371 across the 29 of their papers we have counts for
29 papers
Microscopic Origin of Pressure-Enhanced and Robust Superconductivity in Infinite-Layer LaSrNiO
Jian-Feng Zhang, Zhong-Yi Lu, Tao Xiang
Recent transport measurements on freestanding LaSrNiO membranes revealed a broad superconducting dome extending from ambient pressure to 210 GPa, with an onset…
Symmetry-Preserving Phase Transitions in Al Materials under Pressure
Jian-Feng Zhang, Sheng Xu, Zhong-Yi Lu +1
External parameters such as temperature, pressure, and chemical doping can induce structural phase transitions in materials. Although such transitions usually involve a change in s…
Screening phonon-mediated superconductors from static orbital Hamiltonians
Jian-Feng Zhang, Ze-Feng Gao, Xiao-Qi Han +6
The first-principles search for superconductors is severely limited by the high cost of electron-phonon coupling (EPC) calculations. Here we develop a low-cost, physically transpar…
Giant anomalous Hall conductivity in frustrated magnet EuCo2Al9
Sheng Xu, Jian-Feng Zhang, Shu-Xiang Li +16
The interaction between conduction electrons and localized magnetic moments profoundly influences the electrical and magnetic properties of materials, giving rise to a variety of f…
Bridging Crystal Structure and Material Properties via Bond-Centric Descriptors
Jian-Feng Zhang, Ze-Feng Gao, Xiao-Qi Han +7
Although chemical bonding is the fundamental mechanistic bridge connecting atomic structure to macroscopic material properties, current data-driven materials science largely treats…
Ultrasmall (3,0) carbon nanotube: a superconducting unit with strong electron-phonon coupling
Zhenfeng Ouyang, Jing Jiang, Jian-Feng Zhang +3
Based on density-functional first-principles calculations, we study the electronic structures, lattice dynamics, and electron-phonon coupling (EPC) properties of the ultrasmall one…
Type-II Dirac nodal chain semimetal CrB4
Xiao-Yao Hou, Ze-Feng Gao, Peng-Jie Guo +2
Dirac nodal line semimetals with topologically protected drumhead surface states have attracted intense theoretical and experimental attention over a decade. However, the study of…
Structural, electronic, magnetic properties of Cu-doped lead-apatite PbCu(PO)O
Jianfeng Zhang, Huazhen Li, Ming Yan +4
The recent report of superconductivity in the Cu-doped PbPO compound stimulates the extensive researches on its physical properties. Herein, the detailed atomic and electronic stru…
Exploring charge and spin fluctuations in infinite-layer cuprate SrCuO from a phonon perspective
Xin Du, Pei-Han Sun, Ben-Chao Gong +3
The infinite-layer cuprate CuO ( Ca, Sr, Ba) has the simplest crystal structure among numerous cuprate superconductors and can serve a prototypical system to explore the…
Microscopic resolution of superconducting electrons in ultrahigh-pressed hydrogen sulfide
Jian-Feng Zhang, Bo Zhan, Miao Gao +4
We investigate the electronic and phonon properties of hydrogen sulfide (SH) under ultrahigh pressure to elucidate the origin of its high-T superconductivity. Contrary to t…
Co-existence of charge density wave and anti-ferromagnetic coupling in the spin-chain compound BaCrS
Jianhua Zhu, Jianfeng Zhang, Yilin Zhang +6
Here we have performed detailed first principles calculations for the electronic structure and magnetic properties of BaCrS to study the origin of the anti-ferromagn…
Tetragonal-phase SnOFeSe: A possible parent compound of FeSe-based superconductor
Xiao-Xiao Man, Pei-Han Sun, Jian-Feng Zhang +2
Recent experiments have reported that inserting metal atoms or small molecules in between the FeSe layers of -FeSe can significantly enhance the superconducting transition tempe…
Magnetic surface on nonmagnetic bulk of electride Hf2S
Jian-Feng Zhang, Duo Xu, Xiao-Le Qiu +3
Recent experiment reported the self-passivated electride Hf2S with excellent stability and continuous electrocatalytic ability [S. H. Kang et al., Sci. Adv. 6, eaba7416 (2020)]. St…
Superconductivity in monolayer BaN electride: a first-principles study
Xiao-Le Qiu, Jian-Feng Zhang, Huan-Cheng Yang +2
The exploration of superconductivity in low-dimensional materials has attracted intensive attention for decades. Based on first-principles electronic structure calculations, we hav…
Hydrogenation induced magnetic and electronic transitions in monolayer electride GdC: A first-principles study
Duo Xu, Jian-Feng Zhang, Zhong-Yi Lu +1
The recently synthesized two-dimensional electride GdC was proposed to be a ferromagnetic metal that possesses multiple pairs of Weyl points and may display a large anomalous H…
Pressure induced superconductivity in WB2 and ReB2 through modifying the B layers
Cuiying Pei, Jianfeng Zhang, Chunsheng Gong +10
The recent discovery of superconductivity up to 32 K in the pressurized MoB2 reignites the interests in exploring high-Tc superconductors in transition-metal diborides. Inspired by…
First-principles study of the crystal structure, electronic structure, and transport properties of NiTe under pressure
Jian-Feng Zhang, Yawen Zhao, Kai Liu +2
Recent experiments showed the distinct observations on the transition metal ditelluride NiTe under pressure: one reported a superconducting phase transition at 12 GPa, whereas…
First-principles study of the superconductivity in LaO
Pei-Han Sun, Jian-Feng Zhang, Kai Liu +2
A recent experiment reported the first rare-earth binary oxide superconductor LaO ( 5 K) with a rock-salt structure [K. Kaminaga et al., J. Am. Chem. Soc. 140, 6754 (2…
SrPd, a candidate material with extremely large magnetoresistance
Xiao-Qin Lu, Peng-Jie Guo, Jian-Feng Zhang +2
The extremely large magnetoresistance (XMR) effect in nonmagnetic semimetals have attracted intensive attention recently. Here we propose an XMR candidate material SrPd based on fi…
First-principles study of the robust superconducting state of NbTi alloys under ultrahigh pressures
Jian-Feng Zhang, Miao Gao, Kai Liu +1
A recent experiment reported that robust superconductivity appears in NbTi alloys under ultrahigh pressures with an almost constant superconducting of ~19 K from 120 to 261.7…
First-principles study on the electron-phonon coupling and magnetoresistance of LaBi under pressure
Jian-Feng Zhang, Peng-Jie Guo, Miao Gao +2
The extremely large magnetoresistance (XMR) material LaBi was reported to become superconducting under pressure accompanying with suppressed magnetoresistance. However, the underly…
First-principles study on the double-dome superconductivities in kagome material CsVSb under pressure
Jian-Feng Zhang, Kai Liu, Zhong-Yi Lu
Recent high pressure experiments discovered abnormal double-dome superconductivities in the newly-synthesized kagome materials VSb ( = K, Rb, Cs), which also host abu…
Pressure-induced Superconductivity at 32 K in MoB2
Cuiying Pei, Jianfeng Zhang, Qi Wang +9
Since the discovery of superconductivity in MgB2 (Tc ~ 39 K), the search for superconductivity in related materials with similar structures or ingredients has never stopped. Althou…
Topological properties of non-centrosymmetric superconductors IrB (=Nb, Ta)
Yan Gao, Jian-Feng Zhang, Shengyuan A. Yang +2
A recent experiment reported two new non-centrosymmetric superconductors NbIrB and TaIrB with respective superconducting transition temperatures of 7.2 K an…