204 citations · 211 across the 11 of their papers we have counts for
8 papers · 1 filter
Temperature-dependent Multi-well Free-energy Landscape for Phase Transitions: PbTiO3 as a Prototype
Yi Wang, Tiannan Yang, Shun-Li Shang +2
It has been a long challenge to analytically construct the quantitative temperature-dependent multi-well free-energy landscape over the space of order parameters describing phase t…
A Thermochemical Database from High-throughput First-Principles Calculations and Its Application to Analyzing Phase Evolution in AM-fabricated IN718
Yi Wang, Frederick Lia, Ke Wang +7
A comprehensive thermochemical database is constructed based on high-throughput first-principles phonon calculations of over 3000 atomic structures in Ni, Fe, and Co alloys involvi…
Route to in situ synthesis of epitaxial Pr2Ir2O7 thin films guided by thermodynamic calculations
Lu Guo, Shun-Li Shang, Neil Campbell +4
In situ growth of pyrochlore iridate thin films has been a long-standing challenge due to the low reactivity of Ir at low temperatures and the vaporization of volatile gas species…
An ab initio molecular dynamics exploration of associates in Ba-Bi liquid with strong ordering trends
Jianbo Ma, Shun-Li Shang, Hojong Kim +1
Fictive associates are widely used to describe and model liquid phases with strong ordering trends. However, little evidence is known about the assumed associates in most cases. In…
Realization of Epitaxial Thin Films of the Topological Crystalline Insulator SrSnO
Yanjun Ma, Anthony Edgeton, Hanjong Paik +8
Topological materials are derived from the interplay between symmetry and topology. Advances in topological band theories have led to the prediction that the antiperovskite oxide S…
A Piezoelectric, Strain-Controlled Antiferromagnetic Memory Insensitive to Magnetic Fields
Han Yan, Zexin Feng, Shunli Shang +17
Spintronic devices based on antiferromagnetic (AFM) materials hold the promise of fast switching speeds and robustness against magnetic fields. Different device concepts have been…