669 citations · 3.8k across the 43 of their papers we have counts for
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Unexpected Reconstruction of the alpha-Boron (111) Surface
Xiang-Feng Zhou, Artem R. Oganov, Xi Shao +2
We report on a novel reconstruction of the alpha-boron (111) surface, discovered using an ab initio evolution structure search, and reveal that it has an unexpected neat structure…
Formation of Stoichiometric CsF Compounds
Qiang Zhu, Artem R. Oganov, Qingfeng Zeng
Alkali halides , have been viewed as typical ionic compounds, characterized by 1:1 ratio necessary for charge balance between M and X. It was proposed that group I elem…
The Phase Diagram and Hardness of Carbon Nitrides
Huafeng Dong, Artem R. Oganov, Qiang Zhu +1
Novel superhard materials, especially those with superior thermal and chemical stability, are needed to replace diamond. Carbon nitrides (C-N), which are likely to possess these ch…
Predicting Polymeric Crystal Structures by Evolutionary Algorithms
Qiang Zhu, Vinit Sharma, Artem R Oganov +1
The recently developed evolutionary algorithm USPEX proved to be a tool that enables accurate and reliable prediction of structures for a given chemical composition. Here we extend…
Stability of numerous novel potassium chlorides at high pressure
Weiwei Zhang, Artem R. Oganov
K-Cl is a simple system displaying all four main types of bonding, as it contains (i) metallic potassium, (ii) elemental chlorine made of covalently bonded Cl2 molecules held toget…