15 citations · 30 across the 3 of their papers we have counts for
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cond-mat.mtrl-sci2025★ 15 cited
Structural and Electronic Properties of Ta2O5 with One Formula Unit
Yangwu Tong, Huimin Tang, Yong Yang
Based on particle swarm optimization (PSO) algorithm and density functional theory (DFT) calculations, we identify a stable triclinic crystal structure of Ta2O5 (named as γ1-Ta2O5)…
cond-mat.mtrl-sci2014★ 12 cited
Exceptionally Long-ranged Lattice Relaxation in Oxygen-deficient Ta2O5
Yong Yang, Osamu Sugino, Yoshiyuki Kawazoe
The lattice relaxation in oxygen-deficient Ta2O5 is investigated using first-principles calculations. The presence of a charge-neutral oxygen vacancy can result in a long-ranged la…