Abstract
31Aug 2016 COHESIVE ENERGY OF ZnO DOPED WITH TRANSITION METAL IONS UNDER PRESSURE. Anita Singh1\ and Umesh Kumar Sakalle. Department of Physics, Govt. M.V.M., Bhopal (M.P.) ,India. Department of Physics, Shri Neelkantheshwar Govt. P.G. College, Khandwa, (M.P.) India.
Highlights
We have used threebody potential model (TBPM) to study Zinc oxide (ZnO):transition metal (TM) find that the cohesive energy at doping concentrations in zinc blende and rock salt (B3+B1) structures and cohesive energy increases of ZnO:TM with increases
When pressure raised from an ambient condition, ZnO:TM transforms from B3+B1 to B1 structure at phase transition pressure
In the present research work we have developed a three body potential model (TBPM) to study the cohesive properties of ZnO doped with transition metal (TM) ions (Mn, Co or Ni) at ambient pressure and at phase transition pressure
Summary
We have used threebody potential model (TBPM) to study ZnO:TM find that the cohesive energy at doping concentrations in zinc blende and rock salt (B3+B1) structures and cohesive energy increases of ZnO:TM with increases TBPM; Vegard’s Law; Cohesive energy; Phase transition pressure. When pressure raised from an ambient condition, ZnO:TM transforms from B3+B1 to B1 structure at phase transition pressure.
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