Structural stability of TiO and TiN under high pressure

• Authors: Raja Chauhan , Sadhna Singh , Ram Singh
• 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.

Keywords

EN

phase transition; transition pressure; three body interaction (TBI); elastic constants; Gibbs free energy

Discipline

• 62.50.-p: High-pressure effects in solids and liquids(for high pressure apparatus and techniques, see 07.35.+k; for high-pressure behavior of rocks and minerals, see 91.60.Gf; for pressure treatments, see 81.40.Vw in materials science; for effects of pressure on superconducting transition temperature, see 74.62.Fj)
• 61.50.Lt: Crystal binding; cohesive energy
• 61.66.-f: Structure of specific crystalline solids(for surface structure, see 68.35.B-)

• Publisher: De Gruyter Open
• Journal: Open Physics
• Year: 2008
• Volume: 6
• Issue: 2
• Pages: 277-282

Dates

published

1 - 6 - 2008

online

26 - 3 - 2008

Contributors

author

Raja Chauhan

• Truba Institute of Engineering and Information Technology, Bhopal, 462038, India

author

Sadhna Singh

• Physics Dept., Barkatullah University, Bhopal, 462001, India

author

Ram Singh

• Institute of Professional and Scientific Studies and Research, Choudhary Devi Lal University, Sirsa, 125055, India

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Identifiers

DOI

10.2478/s11534-008-0027-z