Metastability of single-bonded cubic-gauche structure of N under ambient pressure
نویسندگان
چکیده
منابع مشابه
Super high-energy density single-bonded trigonal nitrogen allotrope-a chemical twin of the cubic gauche form of nitrogen.
A new ambient-pressure metastable single-bonded 3D nitrogen allotrope (TrigN) of trigonal symmetry (space group R3[combining macron]) was calculated using density functional theory (DFT). A comprehensive characterization of this material, comprising thermodynamic, elastic, and spectral (vibrational, UV-vis absorption, and nuclear magnetic resonance) properties, was performed. Using high-through...
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Jin S. Zhang, Jay D. Bass, Takashi Taniguchi, Alexander F. Goncharov, Yun-Yuan Chang, and Steven D. Jacobsen Department of Geology, University of Illinois at Urbana-Champaign, Urbana, Illinois 61801, USA National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan Geophysical Laboratory, Carnegie Institution of Washington, Washington D.C. 20015, USA Department of Earth...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2006
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.73.094105