Damage of Dusty Optical Elements in the Field of Continuous-Wave Laser Radiation |
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| Authors: | I. N. Derkach E. A. Kudryashov G. N. Kachalin N. A. Kirdyaev V. V. Ladeishchikova D. S. Timaev |
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| Affiliation: | 1.Sobolev Institute of Geology and Mineralogy, Siberian Branch,Russian Academy of Sciences,Novosibirsk,Russia;2.Novosibirsk State University,Novosibirsk,Russia;3.National University of Science and Technology MISiS,Moscow,Russia;4.Eurasian National University,Astana,Kazakhstan |
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| Abstract: | The structure and properties of high-pressure phases of iron nitrides Fe7N3 in the pressure range of 50–150 GPa have been studied with ab initio calculations within the electron density functional theory. A new phase Amm2-Fe7N3, which is the most energetically favorable in the pressure range of 43–128 GPa, has been found using the USPEX (Universal Structure Predictor: Evolutionary Xtallography) algorithms. It has been thermodynamically shown that another high-pressure phase β-Fe7N3 is isostructural to a similar phase of iron carbide. The elastic properties have been calculated for all modifications ε-, β-, and Amm2-Fe7N3 stable at high pressures. |
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