High-pressure stable phases in mercury azide
WebSep 15, 2024 · Transformation of Ammonium Azide at High Pressure and Temperature Transformation of Ammonium Azide at High Pressure and Temperature Authors Guozhao Zhang 1 2 , Haiwa Zhang 2 , Sandra Ninet 2 , Hongyang Zhu 3 , Keevin Beneut 2 , Cailong Liu 4 , Mohamed Mezouar 5 , Chunxiao Gao 1 , Frédéric Datchi 2 Affiliations WebHigh-pressure stable phases in mercury azide Shitai Guo et al-Negative linear compressibility and structural phase transition in energetic silver azide under pressure: A first principles study N. Yedukondalu et al-Prediction of Stable Iron Nitrides at Ambient and High …
High-pressure stable phases in mercury azide
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Web1.2.1 Crystal Structure of Parent and Martensite Phases. The β phase, i.e., high-temperature phase or parent phase, has a bcc structure, while the martensite phase has a hexagonal structure (α′ phase) or an orthorhombic structure (α″ phase). Fig. 1.1 shows the crystal … WebSep 12, 2013 · Above 200 GPa quasi-one- and two-dimensional extended puckered hexagonal and decagonal nitrogen layers emerge. The high-pressure phase featuring linear chains may be quenchable to P = 1 atm. With increasing pressure the progression in …
WebMar 12, 2014 · It has been verified that the stable phase with space group I4/mcm below 22 GPa, which is consistent with the experimental result, will transform into the C2/m phase with pressure increasing. WebOct 28, 2024 · Four Cu–N compounds are predicted to be thermodynamically stable at high pressures, Pnnm -CuN 2, two CuN 3 compounds with the P -1 space group (named as I-CuN 3 and II-CuN 3) and P 2 1 / m -CuN 5 containing cyclo-N 5−.
WebTo explore new stable polymeric nitrogen phases in alkali metal azides, the crystalline structures of potassium azide KN3, are systematically investigated up to 400 GPa by using unbiased structure searching methods combined with first principles density functional … WebNov 1, 2024 · The high-pressure structural phase transitions and phase stabilities of the HgN 3 compounds have been studied up to 200 GPa by using the CALYPSO and the density functional theory calculation methods. Two new semiconductive phases with zigzag …
WebMar 1, 2024 · We obtained the pressure-composition phase diagram of CeN (x 1–2, 4–8) from the crystal structure prediction shown in Fig. 1. The red bar represents -CeN (space group: No. 225), which has been experimentally synthesized and studied [33], [34]. The blue bars represent the stable phases predicted in this work.
WebThree new phases with P-1, P2 1 /m, and P-1 structures at pressures of 38 GPa, 125 GPa, and 148 GPa are identified for the first time. The theoretical calculations show that the two P-1 structures are dynamically stable at 50 GPa and 200 GPa. incprporation educationWebExploring the bonding properties and polymerization mechanism of the polymer phases of nitrogen-rich compounds is one of the goals of high-pressure research. Considering first-principles calculations, a particle swarm optimization structure search method has been … incr byWebThe azide anion In chemistry, azide is a linear, polyatomic anion with the formula N− 3 and structure −N=N+=N−. It is the conjugate base of hydrazoic acid HN3. Organic azides are organic compounds with the formula RN3, containing the azide functional group. [1] The dominant application of azides is as a propellant in air bags. [1] incr abc 命名会输出什么结果WebJun 1, 2012 · The U.S. Department of Energy's Office of Scientific and Technical Information incr burst传输WebOct 28, 2013 · At pressure of 20 GPa, a monoclinic structure, as shown in fig. 1 (b), is predicted to be most stable phase for KN 3. The phase has the optimized lattice parameters a = 4.426 Å, b = 4.474 Å, c = 5.516 Å and with atomic positions: K atoms at 2 a (0, 0, 0), N atoms at 2 c (1/2, , 1/2) and 4 i (0.809, , 0.684) at 20 GPa. incr and getWebThe structural, electronic, optical, and vibrational properties of LiN3 under high pressure have been studied using plane wave pseudopotentials within the generalized gradient approximation for the exchange and correlation functional. The calculated lattice parameters agree quite well with experiments. The calculated bulk modulus value is found … incq asmWebThe theoretical calculations show that the two P-1 structures are dynamically stable at 50 GPa and 200 GPa. In these two phases, the nitrogen atoms form an infinite one-dimensional zigzag chain and connected N 6 ring, respectively. Two stable structures have semiconductor properties throughout the stable pressure range, primarily due to sp incr 0.5