G
Guang-Rui Qian
Researcher at Stony Brook University
Publications - 22
Citations - 792
Guang-Rui Qian is an academic researcher from Stony Brook University. The author has contributed to research in topics: Phase (matter) & Ab initio. The author has an hindex of 12, co-authored 21 publications receiving 656 citations. Previous affiliations of Guang-Rui Qian include State University of New York System & Nanjing University.
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Journal ArticleDOI
A stable compound of helium and sodium at high pressure
Xiao Dong,Artem R. Oganov,Alexander F. Goncharov,Elissaios Stavrou,Elissaios Stavrou,Sergey S. Lobanov,Sergey S. Lobanov,Gabriele Saleh,Guang-Rui Qian,Qiang Zhu,Carlo Gatti,Volker L. Deringer,Richard Dronskowski,Xiang-Feng Zhou,Xiang-Feng Zhou,Vitali B. Prakapenka,Zuzana Konôpková,Ivan A. Popov,Alexander I. Boldyrev,Hui-Tian Wang,Hui-Tian Wang +20 more
TL;DR: It is shown that the presence of He atoms causes strong electron localization and makes this material insulating, and it is predicted that the existence of Na2HeO with a similar structure at pressures above 15 GPa is predicted.
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The phase diagram and hardness of carbon nitrides
TL;DR: Surprisingly, it is found that at zero pressure, the earlier proposed graphitic-C3N4 structure is dynamically unstable, and the lowest-energy structure based on s-triazine unit and s-heptazine unit is found.
Journal ArticleDOI
Variable cell nudged elastic band method for studying solid-solid structural phase transitions
Guang-Rui Qian,Guang-Rui Qian,Xiao Dong,Xiang-Feng Zhou,Yongjun Tian,Artem R. Oganov,Artem R. Oganov,Hui-Tian Wang,Hui-Tian Wang +8 more
TL;DR: An extended technique— a variable-cell NEB (VC-NEB) technique combined with the ab initio method, implemented in the USPEX code, which is applied to reconstructive solid-solid phase transitions of GaN and studies the mechanism of the recently predicted insulator-metal phase transition of BH.
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Pressure-induced stabilization and insulator-superconductor transition of BH.
Chao-Hao Hu,Chao-Hao Hu,Artem R. Oganov,Artem R. Oganov,Qiang Zhu,Guang-Rui Qian,Gilles Frapper,Andriy O. Lyakhov,Huai-Ying Zhou +8 more
TL;DR: A systematic investigation of the B-H system using the ab initio variable-composition evolutionary simulations shows that boron monohydride (BH) is thermodynamically stable and can coexist with solid B, H(2), and B(2)H(6) in a wide pressure range above 50 GPa.
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First-Principles Determination of the Structure of Magnesium Borohydride
TL;DR: The energy landscape of Mg(BH(4))(2) under pressure is explored by ab initio evolutionary calculations and the density, volume contraction, bulk modulus, and simulated x-ray diffraction patterns of I4(1)/acd and P4 structures are in excellent agreement with the experimental results.