9 citations · 16 across the 6 of their papers we have counts for
6 papers
Origin of the reaction temperature in solid-state materials synthesis
Shibo Tan, Gabrielle E. Kamm, Alex Stangel +12
Temperature plays a crucial role in solid-state materials synthesis, but there is currently no mechanistic theory to explain or predict which temperature is best to conduct a solid…
The geometry of high-dimensional phase diagrams: III. Engineering relative stability in four dimensions
Jiadong Chen, Matthew J. Powell-Palm, Wenhao Sun
Designing thermodynamic conditions to improve (or reduce) the stability of a target material is a key task in materials engineering. For example, during materials synthesis one aim…
The geometry of high-dimensional phase diagrams: II. The duality between closed and open chemical systems
Jiadong Chen, Matthew J. Powell-Palm, Wenhao Sun
Modern materials are often synthesized or operated in complex chemical environments, where there can be numerous elemental species, competing phases, and reaction pathways. When an…
Quasicrystal bulk and surface energies from density functional theory
Woohyeon Baek, Sambit Das, Shibo Tan +2
Are quasicrystals stable or metastable? Density functional theory (DFT) is often used to evaluate thermodynamic stability, but quasicrystals are long-range aperiodic and their ener…
Why does silicon have an indirect band gap?
Emily Oliphant, Veda Mantena, Madison Brod +2
It is difficult to intuit how electronic structure featuressuch as band gap magnitude, location of band extrema, effective masses, etc.arise from the underlying crystal chemi…
Visualizing Temperature-Dependent Phase Stability in High Entropy Alloys
Daniel Evans, Jiadong Chen, Geoffroy Hautier +1
High Entropy Alloys (HEAs) contain near equimolar amounts of five or more elements and are a compelling space for materials design. Great emphasis is placed on identifying HEAs tha…