Рубрики:
CARBON
PRESSURES
GRAPHITE
HARDNESS
ORIGIN
Кл.слова (ненормированные):
Impact diamonds -- lonsdaleite -- compressibility -- high-pressure -- diamond/lonsdailete biphases
CARBON
PRESSURES
GRAPHITE
HARDNESS
ORIGIN
Кл.слова (ненормированные):
Impact diamonds -- lonsdaleite -- compressibility -- high-pressure -- diamond/lonsdailete biphases
Аннотация: For the first time, lonsdaleite-rich impact diamonds from one of the largest Popigai impact crater (Northern Siberia) with a high concentration of structural defects are investigated under hydrostatic compression up to 25 GPa. It is found that, depending on the nature of a sample, the bulk modulus for lonsdaleite experimentally obtained by X-ray diffraction in diamond-anvil cells is systematically lower and equal to 93.3–100.5% of the average values of the bulk moduli of a diamond matrix. Density functional theory calculations reveal possible coexistence of a number of diamond/lonsdaleite and twin diamond biphases. Among the different mutual configurations, separate inclusions of one lonsdaleite (001) plane per four diamond (111) demonstrate the lowest energy per carbon atom, suggesting a favorable formation of single-layer lonsdaleite (001) fragments inserted in the diamond matrix. Calculated formation energies and experimental diamond (311) and lonsdaleite (331) powder X-ray diffraction patterns indicate that all biphases could be formed under high-temperature, high-pressure conditions. Following the equation of states, the bulk modulus of the diamond (111)/lonsdaleite (001) biphase is the largest one among all bulk moduli, including pristine diamond and lonsdaleite.
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Держатели документа:
Kyungpook Natl Univ, Dept Chem, 80 Daehak Ro, Daegu 41566, South Korea.
Kyungpook Natl Univ, Greennano Mat Res Ctr, 80 Daehak Ro, Daegu 41566, South Korea.
Novosibirsk State Univ, Dept Phys, Pirogova Str 2, Novosibirsk 630090, Russia.
Nikolaev Inst Inorgan Chem SB RAS, Dept Crystal Chem, Lavrentiev Ave 3, Novosibirsk 630090, Russia.
Siberian Fed Univ, 79 Svobodniy Pr, Krasnoyarsk 660041, Russia.
ESRF European Synchrotron, 71 Ave Martyrs, F-38000 Grenoble, France.
Tomsk State Univ, 36 Lenin Prospekt, Tomsk 634050, Russia.
BAM Fed Inst Mat Res & Testing, Richard Willstatter Str 11, D-12489 Berlin, Germany.
Kirensky Inst Phys, Fed Res Ctr KSC SB RAS, Krasnoyarsk 660036, Russia.
Доп.точки доступа:
Baek, Woohyeon; Gromilov, Serey A.; Kuklin, Artem, V; Kovaleva, Evgenia A.; Fedorov, A. S.; Федоров, Александр Семенович; Sukhikh, Alexander S.; Hanfland, Michael; Pomogaev, Vladimir A.; Melchakova, Iuliia A.; Avramov, P. V.; Аврамов, Павел Вениаминович; Yusenko, Kirill, V