Search Results - "Gavryushkin, Pavel N"

Aragonite-II and CaCO3‑VII: New High-Pressure, High-Temperature Polymorphs of CaCO3 by Gavryushkin, Pavel N, Martirosyan, Naira S, Inerbaev, Talgat M, Popov, Zakhar I, Rashchenko, Sergey V, Likhacheva, Anna Yu, Lobanov, Sergey S, Goncharov, Alexander F, Prakapenka, Vitali B, Litasov, Konstantin D

“…The importance for the global carbon cycle, the P–T phase diagram of CaCO3 has been under extensive investigation since the invention of the high-pressure…”
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Noncentrosymmetric Na2Ca4(CO3)5 Carbonate of “M13M23XY3Z” Structural Type and Affinity between Borate and Carbonate Structures for Design of New Optical Materials by Rashchenko, Sergey V, Bakakin, Vladimir V, Shatskiy, Anton F, Gavryushkin, Pavel N, Seryotkin, Yurii V, Litasov, Konstantin D

“…A number of carbonates with promising optical properties were synthesized during the past decade, proving the potential of carbonate systems as a source of…”
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New High-Pressure Structures of Transition Metal Carbonates with O3C–CO3 Orthooxalate Groups by Sagatov, Nursultan E., Sagatova, Dinara N., Gavryushkin, Pavel N., Litasov, Konstantin D.

“…Based on the density functional theory and crystal structure prediction approaches, we found a novel high-pressure structure of Fe2CO4-P1¯. It is characterized…”
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High‐pressure phases of sulfur: Topological analysis and crystal structure prediction by Gavryushkin, Pavel N., Litasov, Konstantin D., Dobrosmislov, Sergey S., Popov, Zakhar I.

“…We apply density functional theory (DFT) and evolutionary structure prediction algorithms to study the high‐pressure behavior of sulfur above 100 GPa. Based on…”
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Toward Analysis of Structural Changes Common for Alkaline Carbonates and Binary Compounds: Prediction of High-Pressure Structures of Li2CO3, Na2CO3, and K2CO3 by Gavryushkin, Pavel N, Behtenova, Altyna, Popov, Zakhar I, Bakakin, Vladimir V, Likhacheva, Anna Y, Litasov, Konstantin D, Gavryushkin, Alex

“…The behavior of alkaline carbonates at high pressure is poorly understood. Indeed, theoretical and experimental investigations of the pressure induced…”
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Phase relations in the Fe-P system at high pressures and temperatures from ab initio computations by Sagatov, Nursultan E., Gavryushkin, Pavel N., Banayev, Maksim V., Inerbaev, Talgat M., Litasov, Konstantin D.

“…Based on the first-principles calculations within the density functional theory and crystal structure prediction algorithms iron phosphide phases stable under…”
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Halogen-Doped Chevrel Phase Janus Monolayers for Photocatalytic Water Splitting by Sukhanova, Ekaterina V, Sagatov, Nursultan E, Oreshonkov, Aleksandr S, Gavryushkin, Pavel N, Popov, Zakhar I

“…Chevrel non-van der Waals crystals are promising candidates for the fabrication of novel 2D materials due to their versatile crystal structure formed by…”
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Phase Stability in Nickel Phosphides at High Pressures by Inerbaev, Talgat M, Sagatov, Nursultan, Sagatova, Dinara, Gavryushkin, Pavel N, Akilbekov, Abdirash T, Litasov, Konstantin D

“…Phosphorus is one of the potential light elements of the core of the Earth and other planets. The high-pressure behavior of phosphorus compounds with nickel…”
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High-Pressure Phase Diagrams of Na2CO3 and K2CO3 by Pavel N. Gavryushkin, Altyna Bekhtenova, Sergey S. Lobanov, Anton Shatskiy, Anna Yu. Likhacheva, Dinara Sagatova, Nursultan Sagatov, Sergey V. Rashchenko, Konstantin D. Litasov, Igor S. Sharygin, Alexander F. Goncharov, Vitali B. Prakapenka, Yuji Higo

“…The phase diagrams of Na 2 CO 3 and K 2 CO 3 have been determined with multianvil (MA) and diamond anvil cell (DAC) techniques. In MA experiments with heating,…”
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Incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2 by Bolotina, Nadezhda B., Gavryushkin, Pavel N., Korsakov, Andrey V., Rashchenko, Sergey V., Seryotkin, Yurii V., Golovin, Alexander V., Moine, Bertrand N., Zaitsev, Anatoly N., Litasov, Konstantin D.

“…The incommensurately modulated twin structure of nyerereite Na1.64K0.36Ca(CO3)2 has been first determined in the (3 + 1)‐dimensional symmetry group…”
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Thermal equation of state and thermodynamic properties of iron carbide Fe3C to 31 GPa and 1473 K by Litasov, Konstantin D., Sharygin, Igor S., Dorogokupets, Peter I., Shatskiy, Anton, Gavryushkin, Pavel N., Sokolova, Tatiana S., Ohtani, Eiji, Li, Jie, Funakoshi, Kenichi

“…Resent experimental and theoretical studies suggested preferential stability of Fe3C over Fe7C3 at the condition of the Earth's inner core. Previous studies…”
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Formation of Mg-Orthocarbonate through the Reaction MgCO3 + MgO = Mg2CO4 at Earth’s Lower Mantle P–T Conditions by Gavryushkin, Pavel N, Sagatova, Dinara N, Sagatov, Nursultan, Litasov, Konstantin D

“…Orthocarbonates of alkaline earth metals are the newly discovered class of compounds stabilized at high pressures. Mg-orthocarbonates are the potential carbon…”
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Crystal structures and P–T phase diagrams of SrC2O5 and BaC2O5 by Sagatova, Dinara N., Gavryushkin, Pavel N., Sagatov, Nursultan E., Banaev, Maksim V.

“…In this study, we present the results of a search for new stable structures of SrCO and BaCO in the pressure range of 0–100 GPa based on the density functional…”
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Disordered Aragonite: The New High-Pressure, High-Temperature Phase of CaCO3 by Gavryushkin, Pavel N, Sagatov, Nursultan, Belonoshko, Anatoly B, Banaev, Maksim V, Litasov, Konstantin D

“…Phases of CaCO3 stabilized at high pressures and temperatures are the potential agents of the global carbon cycle, transferring oxidized carbon in deep Earth’s…”
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Fe–N System at High Pressures and Its Relevance to the Earth’s Core Composition by Sagatov, Nursultan E, Sagatova, Dinara N, Gavryushkin, Pavel N, Litasov, Konstantin D

“…Based on ab initio calculations within the density functional theory and crystal structure prediction algorithms, the structure and stability of iron–nitrogen…”
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New high-pressure phases of Fe 7 N 3 and Fe 7 C 3 stable at Earth's core conditions: evidences for carbon-nitrogen isomorphism in Fe-compounds by Sagatov, Nursultan, Gavryushkin, Pavel N, Inerbaev, Talgat M, Litasov, Konstantin D

“…We carried out calculations on the crystal structure prediction and determination of - diagrams within the quasi-harmonic approximation for Fe N and Fe C . Two…”
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The intrinsic twinning and enigmatic twisting of aragonite crystals by Gavryushkin, Pavel N, Rečnik, Aleksander, Donskikh, Katerina G, Banaev, Maksim V, Sagatov, Nursultan E, Rashchenko, Sergey, Volkov, Sergey, Aksenov, Sergey, Mikhailenko, Denis, Korsakov, Andrey, Daneu, Nina, Litasov, Konstantin D

“…It is generally accepted that aragonite crystals of biogenic origin are characterized by significantly higher twin densities compared to samples formed during…”
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Synthesis and Growth of Rare Earth Borates NaSrR(BO3)2 (R = Ho–Lu, Y, Sc) by Kuznetsov, Artem B., Kokh, Konstantin A., Sagatov, Nursultan, Gavryushkin, Pavel N., Molokeev, Maksim S., Svetlichnyi, Valery A., Lapin, Ivan N., Kononova, Nadezda G., Shevchenko, Vyacheslav S., Bolatov, Asset, Uralbekov, Bolat, Goreiavcheva, Anastasia A., Kokh, Alexander E.

“…NaSrR­(BO3)2 (R = Ho–Lu, Y, Sc) compounds were obtained for the first time. Their structures exhibit disordered positions of Sr2+ and Na+ atoms while RO6…”
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Orthocarbonates of Ca, Sr, and BaThe Appearance of sp3‑Hybridized Carbon at a Low Pressure of 5 GPa and Dynamic Stability at Ambient Pressure by Gavryushkin, Pavel N, Sagatova, Dinara N, Sagatov, Nursultan, Litasov, Konstantin D

“…Orthocarbonates are a newly discovered class of compounds that are stable at high pressures. The presence of sp3-hybridized carbon, having structural…”
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(Fe,Ni)2P allabogdanite can be an ambient pressure phase in iron meteorites by Litasov, Konstantin D., Bekker, Tatyana B., Sagatov, Nursultan E., Gavryushkin, Pavel N., Krinitsyn, Pavel G., Kuper, Konstantin E.

“…An orthorhombic modification of (Fe,Ni) 2 P, allabogdanite, found in iron meteorites was considered to be thermodynamically stable at pressures above 8 GPa and…”
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