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Journal
2008 | 6 | 2 | 277-282
Article title

Structural stability of TiO and TiN under high pressure

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Languages of publication
EN
Abstracts
EN
The high pressure phase transition and elastic behavior of Transition Metal Compounds (TiO and TiN) which crystallize in NaCl-structure have been investigated using the three body potential model (TBPM) approach. These interactions arise due to the electron-shell deformation of the overlapping ions in crystals. The TBP model consists of a long range Coulomb, three body interactions, and the short-range overlap repulsive forces operative up to the second neighboring ions. The authors of this paper estimated the values of the phase transition pressures, associated volume collapses, and elastic constants, all of which were found to be closer to available experimental data than other calculations. Thus, the TBPM approach promises to predict the phase transition pressure and pressure variations of elastic constants of Transition Metal compounds.
Publisher
Journal
Year
Volume
6
Issue
2
Pages
277-282
Physical description
Dates
published
1 - 6 - 2008
online
26 - 3 - 2008
References
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Document Type
Publication order reference
YADDA identifier
bwmeta1.element.-psjd-doi-10_2478_s11534-008-0027-z
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