New Metal Nitride Compounds: Can they be Synthesized at High-Pressures?

2007 ◽  
Vol 1040 ◽  
Author(s):  
Peter Kroll
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Phase Diagrams ◽  
High Pressures ◽  
Type Structure ◽  
First Principle ◽  
Metal Nitride ◽  
Temperature Conditions ◽  
High Pressure High Temperature

AbstractWe apply our procedure of including nitrogen fugacity into thermochemical calculations to compute phase diagrams in the rhenium-nitrogen and ruthenium-nitrogen systems. The combination of first-principle and thermochemical calculations let us predict the sequential nitridation of Re at high-pressure/high-temperature conditions. At 3000 K, Re will react with nitrogen at about 32 GPa yielding ReN. Formation of ReN2 with CoSb2-type structure is predicted for pressures exceeding 50 GPa at this temperature. The recently proposed marcasite-type RuN2 will be attainable at 3000 K at pressures above 30 GPa from a mixture of Ru and RuN2.

Advances in Computation of Temperature-Pressure Phase Diagrams of High-Pressure Nitrides

2008 ◽  
Vol 403 ◽  
pp. 77-80 ◽  
Author(s):  
Peter Kroll
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Elevated Temperature ◽  
Total Energy ◽  
Phase Diagrams ◽  
High Pressures ◽  
First Principle ◽  
Energy Calculations ◽  
High Pressure High Temperature ◽  
Pressure Phase

A combination of first-principle and thermochemical calculations is applied to compute the phase diagrams of rhenium-nitrogen and of ruthenium-nitrogen at elevated temperature and high pressure. We augment total energy calculations with our approach to treat the nitrogen fugacity at high pressures. We predict a sequential nitridation of Re at high-pressure/high-temperature conditions. At 3000 K, ReN will form from Re and nitrogen at about 32 GPa. A ReN2 with CoSb2-type structure may be achieved at pressures exceeding 50 GPa at this temperature. Marcasite-type RuN2 will be attainable at 3000 K at pressures above 30 GPa by reacting Ru with nitrogen.

scholarly journals Hochdruckreaktionen quaternärer Chalkogenide mit Schichtstruktur / High-Pressure Reactions of Quaternary Layered Chalcogenides

1996 ◽  
Vol 51 (6) ◽  
pp. 785-789 ◽  
Author(s):  
N. Berand ◽  
H. Haeuseler ◽  
K.-J. Range
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
High Temperature ◽  
Structure Refinement ◽  
Type Structure ◽  
Spinel Type ◽  
Layered Chalcogenides ◽  
Temperature Conditions ◽  
High Pressure High Temperature

Abstract The layered chalcogenides CoGa1.7Ti0.3S4, CoGa1.7V0.3, CoGa1.6Cr0.4S4, CoGaInS4, MnGa1.5Cr0.5S4, MnGa1.4Sc0.6S4, MnGa0.8In1.2S4, MnIn2S1.6Se2.4 and CdIn2S2.1 Se1.9 have been investigated under high-pressure - high-temperature conditions (p ≤ 60 kbar, T ≤ 1600°C). MnIn2S1.6Se2.4 and CdIn2S2.1,S1.9 show a phase transition to spinel-type compounds (a = 11.022(2) and a = 11.059(1) Å, respectively). MnGa0.8In1.2S4 forms a high-pressure polymorph with an olivine-type structure (a = 12. 856(3), b = 7.500(3), c = 6.128(2)Å. All other compounds decompose under the conditions applied. The results of a Rietveld structure refinement for the two high-pressure spinels are presented

scholarly journals Multianvil High-Pressure/High-Temperature Synthesis and Characterization of multiferroic HP-Co3TeO6

2021 ◽  
Author(s):  
Gunter Heymann ◽  
Elisabeth Selb ◽  
Toni Buttlar ◽  
Oliver Janka ◽  
Martina Tribus ◽  
...  
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Type Structure ◽  
Synthesis And Characterization ◽  
Temperature Synthesis ◽  
Space Group ◽  
Crystal System ◽  
High Temperature Synthesis ◽  
High Pressure High Temperature

By high-pressure/high-temperature multianvil synthesis a new high-pressure (HP) phase of Co3TeO6 was obtained. The compound crystallizes in the acentric trigonal crystal system of the Ni3TeO6-type structure with space group R3...

Evolution of Disordering in SiC under High Pressure High Temperature Conditions: In-situ Powder Diffraction Study

1998 ◽  
Vol 278-281 ◽  
pp. 612-617 ◽  
Author(s):  
Bogdan F. Palosz ◽  
Svetlana Stelmakh ◽  
Stanislaw Gierlotka ◽  
M. Aloszyna ◽  
Roman Pielaszek ◽  
...  
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Diffraction Study ◽  
Powder Diffraction ◽  
Temperature Conditions ◽  
High Pressure High Temperature

Cement Degradation in CO2 - H2S Environment under High Pressure-High Temperature Conditions

2017 ◽  
Author(s):  
O. A. Omosebi ◽  
M. Sharma ◽  
R. M. Ahmed ◽  
S. N. Shah ◽  
A. Saasen ◽  
...  
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
Temperature Conditions ◽  
High Pressure High Temperature

In situ Raman study of C60 polymerization at high pressure high temperature conditions

2002 ◽  
Vol 116 (5) ◽  
pp. 2166-2174 ◽  
Author(s):  
A. V. Talyzin ◽  
L. S. Dubrovinsky ◽  
T. Le Bihan ◽  
U. Jansson
Keyword(s):  
High Pressure ◽  
High Temperature ◽  
In Situ Raman ◽  
Temperature Conditions ◽  
High Pressure High Temperature ◽  
Raman Study

Synthesis and Crystal Structure of the High-pressure Cobalt Borate HP-CoB2O4

2010 ◽  
Vol 65 (11) ◽  
pp. 1311-1317 ◽  
Author(s):  
Stephanie C. Neumair ◽  
Reinhard Kaindl ◽  
Hubert Huppertz
Keyword(s):  
Crystal Structure ◽  
High Pressure ◽  
High Temperature ◽  
Common Edge ◽  
Synthesis And Crystal Structure ◽  
Space Group ◽  
The Third ◽  
Temperature Conditions ◽  
High Pressure High Temperature

The cobalt borate HP-CoB2O4 was synthesized from Co3O4 and B2O3 under high-pressure / high-temperature conditions of 6.5 GPa and 950 °C. The structure of HP-CoB2O4 is isotypic to HPNiB2O4 and β -FeB2O4, representing the third example of a borate, in which every BO4 tetrahedron shares a common edge with a second one. HP-CoB2O4 crystallizes in the space group C2/c (Z = 4) with the parameters a = 934.6(2), b = 562.0(2), c = 443.3(1) pm, β = 108.2(1)°, V = 0.2212(1) nm3, R1 = 0.0218, and wR2 = 0.0410 (all data). The structure consists of layers of BO4 tetrahedra, that are interconnected via strings of edge-sharing FeO6 octahedra

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