Browsing by Author "Baburin, Igor A."

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    Erratum: Exploring the 3D structure and defects of a self-assembled gold mesocrystal by coherent X-ray diffraction imaging (Nanoscale (2021) DOI: 10.1039/D1NR01806J)
    (Cambridge : RSC Publ., 2021) Carnis, Jerome; Kirner, Felizitas; Lapkin, Dmitry; Sturm, Sebastian; Kim, Young Yong; Baburin, Igor A.; Khubbutdinov, Ruslan; Ignatenko, Alexandr; Iashina, Ekaterina; Mistonov, Alexander; Steegemans, Tristan; Wieck, Thomas; Gemming, Thomas; Lubk, Axel; Lazarev, Sergey; Sprung, Michael; Vartanyants, Ivan A.; Sturm, Elena V.
    Correction for ‘Exploring the 3D structure and defects of a self-assembled gold mesocrystal by coherent X-ray diffraction imaging’ by Jerome Carnis et al., Nanoscale, 2021, DOI: 10.1039/D1NR01806J.
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    Novel metastable metallic and semiconducting germaniums
    ([London] : Springer Nature, 2013) Selli, Daniele; Baburin, Igor A.; Martoňák, Roman; Leoni, Stefano
    Group-IVa elements silicon and germanium are known for their semiconducting properties at room temperature, which are technologically critical. Metallicity and superconductivity are found at higher pressures only, Ge β-tin (tI4) being the first high-pressure metallic phase in the phase diagram. However, recent experiments suggest that metallicity in germanium is compatible with room conditions, calling for a rethinking of our understanding of its phase diagram. Missing structures can efficiently be identified based on structure prediction methods. By means of ab initio metadynamics runs we explored the lower-pressure region of the phase diagram of germanium. A monoclinic germanium phase (mC16) with four-membered rings, less dense than diamond and compressible into β-tin phase (tI4) was found. Tetragonal bct-5 appeared between diamond and tI4. mC16 is a narrow-gap semiconductor, while bct-5 is metallic and potentially still superconducting in the very low pressure range. This finding may help resolving outstanding experimental issues.