First-Principles Calculation of Elastic Properties in LixZn1−xO:Nd3+ Mechanoluminescence Material (Adv. Theory Simul. 9/2024)

Abstract

Adding Li to ZnO:Nd³⁺ based on first-principles calculations reduces the elastic properties such as Young's modulus, bulk modulus, and shear modulus. In the softened Li_xZn_1−xO:Nd³⁺ system, the introduction of significant strain energy is expected to improve the mechanoluminescence intensity. For further details of this study, see article number 2400099 by Chao-Nan Xu and co-workers.