756 citations · 2.1k across the 14 of their papers we have counts for
14 papers
Theoretical prediction of strong-coupling superconductivity in a hypothetical NaAlH3 phase at ambient pressure
Izabela A. Wrona, Yinwei Li, Radoslaw Szczesniak +1
We present a comprehensive first-principles investigation of a hypothetical cubic Pm-3m phase of the ternary hydride NaAlH3, focusing on its lattice dynamics, electronic structure,…
Creating cyclo-N cation and assembling NN salt via electronegativity co-matching in tailored ionic compounds
Bi Zhang, Yu Xin, Meiling Xu +4
The recent discovery of crystalline pentazolates marks a major advance in polynitrogen science and raises prospects of making the long-touted potent propellant NN$^{-…
Layer Control of Magneto-Optical Effects and Their Quantization in Spin-Valley Splitting Antiferromagnets
Jiaqi Feng, Xiaodong Zhou, Meiling Xu +2
Magneto-optical effects (MOE), interfacing the fundamental interplay between magnetism and light, have served as a powerful probe for magnetic order, band topology, and valley inde…
Seven-coordinated Silicon in a SiO2He Compound Formed under the Extreme Conditions of Planetary Interiors
Shicong Ding, Pan Zhang, Kang Yang +5
Changes in atomic coordination numbers at high pressures are fundamental to condensed-matter physics because they initiate the emergence of unexpected structures and phenomena. Sil…
Helium Incorporation Stabilized Direct-gap Silicides
Shicong Ding, Jingming Shi, Jiahao Xie +8
The search of direct-gap Si-based semiconductors is of great interest due to the potential application in many technologically relevant fields. This work examines the incorporation…
Isotope effect in superconducting lanthanum hydride under high compression
Artur P. Durajski, Radoslaw Szczesniak, Yinwei Li +2
Recently, the discovery of room-temperature superconductivity (SC) was experimentally realized in the fcc phase of LaH under megabar pressure. Specifically, the isotope effe…
Dehydrogenation through the pressure-induced polymerization processes of phosphine
Ye Yuan, Yinwei Li, Guoyong Fang +7
PH3 is studied to understand the superconducting transition and responsible stoichiometry under high pressure by means of Raman, IR, and x-ray diffraction (XRD) measurements, and t…
Quantum Hydrogen-Bond Symmetrization and High-Temperature Superconductivity in Hydrogen Sulfide
Ion Errea, Matteo Calandra, Chris J. Pickard +7
Hydrogen compounds are peculiar as the quantum nature of the proton can crucially affect their structural and physical properties. A remarkable example are the high-pressure phases…
Dissociation products and structures of solid H2S at strong compression
Yinwei Li, Lin Wang, Hanyu Liu +11
Hydrogen sulfides have recently received a great deal of interest due to the record high superconducting temperatures of up to 203 K observed on strong compression of dihydrogen su…
High-energy-density and superhard nitrogen-rich B-N compounds
Yinwei Li, Jian Hao, Hanyu Liu +2
The pressure-induced transformation of diatomic nitrogen into non-molecular polymeric phases may produce potentially useful high-energy-density materials. We combine first-principl…
Metallic Icosahedron Phase of Sodium at Terapascal Pressures
Yinwei Li, Yanchao Wang, Chris J. Pickard +3
Alkali metals exhibit unexpected structures and electronic behavior at high pressures. Compression of metallic sodium (Na) to 200 GPa leads to the stability of a wide-band-gap insu…
Hydrogen sulphide at high pressure: a strongly-anharmonic phonon-mediated superconductor
Ion Errea, Matteo Calandra, Chris J . Pickard +7
We use first principles calculations to study structural, vibrational and superconducting properties of HS at pressures GPa. The inclusion of zero point energy leads…
Non-BCS thermodynamic properties of H2S superconductor
Artur P. Durajski, Radoslaw Szczesniak, Yinwei Li
The present paper determines the thermodynamic properties of the superconducting state in the compound. The values of the pressure from GPa to GPa were t…
The metallization and superconductivity of dense hydrogen sulfide
Yinwei Li, Jian Hao, Yanling Li +1
Hydrogen sulfide (H2S) is a prototype molecular system and a sister molecule of water. The phase diagram of solid H2S at high pressures remains largely unexplored arising from the…