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Hidden structure in the medium-range order of amorphous zirconia-tantala films

https://doi.org/10.1103/PhysRevB.108.054103

Mishkin, Alec; Jiang, Jun; Zhang, Rui; Cheng, Hai-Ping; Prasai, Kiran; Bassiri, Riccardo; Fejer, Martin (August 2023, Physical Review B)
Amorphous Zirconia-doped Tantala modeling and simulations using explicit multi-element spectral neighbor analysis machine learning potentials (EME-SNAP)

https://doi.org/10.1103/PhysRevMaterials.7.045602

Jiang, Jun; Li, Xiang-Guo; Mishkin, Alec S.; Zhang, Rui; Bassiri, Riccardo; Fry, James N.; Fejer, Martin M.; Cheng, Hai-Ping (April 2023, Physical Review Materials)

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Annealing‐Induced Changes in the Atomic Structure of Amorphous Silica, Germania, and Tantala Using Accelerated Molecular Dynamics

https://doi.org/10.1002/pssb.202000519

Prasai, Kiran; Bassiri, Riccardo; Cheng, Hai-Ping; Fejer, Martin M. (May 2021, physica status solidi (b))

The effects of annealing on the atomic structures of , , and are investigated using accelerated molecular dynamics (MD) simulations. Using population annealing with Boltzmann resampling to expedite the MD simulations, it is shown that annealed models demonstrate subtle but statistically significant changes in the structure. Consistent with experiments, the simulations show that effects of annealing on the atomic structures of these amorphous oxides are more pronounced in the medium‐range order than in the short‐range order.
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Analysis of two-level systems and mechanical loss in amorphous ZrO ₂ -doped Ta ₂ O ₅ by non-cage-breaking and cage-breaking transitions

https://doi.org/10.1063/5.0046332

Jiang, Jun; Mishkin, Alec S.; Prasai, Kiran; Zhang, Rui; Yazback, Maher; Bassiri, Riccardo; Fejer, Martin M.; Cheng, Hai-Ping (May 2021, The Journal of Chemical Physics)
High Precision Detection of Change in Intermediate Range Order of Amorphous Zirconia-Doped Tantala Thin Films Due to Annealing

https://doi.org/10.1103/PhysRevLett.123.045501

Prasai, K.; Jiang, J.; Mishkin, A.; Shyam, B.; Angelova, S.; Birney, R.; Drabold, D. A.; Fazio, M.; Gustafson, E. K.; Harry, G.; et al (July 2019, Physical Review Letters)