Molecular dynamics investigation of structures and the potentials of para tellurite (α-TeO2) and europium oxide (Eu2O3) materials by aiming the effect of Eu3+ low doping in α-TeO2 on the mechanical and structural properties

In this work, the interatomic potentials of para tellurite (α-TeO 2 ) and cubic europium oxide (Eu 2 O 3 ) based on molecular dynamics method were studied. We reported the structural properties of α-TeO 2 and Eu 2 O 3 in their crystalline and glass phases and we calculated for the first time their mechanical properties, where our results showed good agreement with the experimental data from previous reports. Finally, we investigated the effect of potential combination of α-TeO 2 and Eu 2 O 3 , and we used the results to discuss the effect of Europium doping on α-TeO 2 matrix. As conclusion, any composition of the three elements (tellurium, oxygen and europium) can be modelled using our interatomic potentials.