Phase Transition and ThermodynamicProperties of OsN2 under High Pressure
2013 ◽
Vol 401-403
◽
pp. 660-662
Keyword(s):
The lattice parameters, phase transition, and thermodynamic properties of OsN2in pyrite and fluorite structure are investigated by first-principles calculations. The pressure and temperature induced phase transitions of OsN2from fluorite structure to pyrite structure have been obtained. It is found that the transition pressure of OsN2at zero temperature is 158.2 GPa, and there exists no transition temperature. In addition, the thermal expansion, the Debye temperature, and the Grüneisen parameter in diverse pressures and temperatures about these two structures have also been obtained. Key words: transition phase; thermodynamic properties; OsN2PACS numbers: 71.15.Mb, 64.70.Kb
2018 ◽
Vol 203
◽
pp. 362-373
◽
2014 ◽
Vol 28
(08)
◽
pp. 1450026
◽
2015 ◽
Vol 17
(17)
◽
pp. 11638-11646
◽
2011 ◽
Vol 406
(5)
◽
pp. 1182-1186
◽
Keyword(s):
2012 ◽
Vol 3
(2)
◽
pp. 160-170
Keyword(s):