3 papers
cond-mat.mtrl-sci2025
Doping-induced Polyamorphic Transitions in Fluorite Oxides
Hao Yang, Qiaotong Luan, Qing Zhang +5
Fluorite oxides such as HfO exhibit rich and tunable phase behavior, making them promising candidates for next generation electronic devices. A key challenge is to design amorp…
cond-mat.mtrl-sci2025
Theoretical modeling of synergistic effect of pores and grains on transmittance in transparent piezoelectric ceramics
Zixiang Xiong, Jian Zhu, Xueqian Geng +3
Transparent piezoelectric ceramics (TPCs) have great application potential in electro-optical-mechanical multi-functional devices. Preparing high-performance TPCs, especially impro…
cond-mat.mtrl-sci2024
Active learning of effective Hamiltonian for super-large-scale atomic structures
Xingyue Ma, Hongying Chen, Ri He +8
The first-principles-based effective Hamiltonian scheme provides one of the most accurate modeling technique for large-scale structures, especially for ferroelectrics. However, the…