1 citations · 2 across the 5 of their papers we have counts for
5 papers
All "roads" lead to rocksalt structure
Matthew Jankousky, Helen Chen, Andrew Novick +1
Rocksalt is the most common crystal structure among binary compounds. Moreover, no long-lived, metastable polymorphs are observed in compounds with the rocksalt ground state. We in…
Computational insights into phase equilibria between wide-gap semiconductors and contact materials
Cheng-Wei Lee, Andriy Zakutayev, Vladan Stevanović
Novel wide-band-gap semiconductors are needed for next-generation power electronic but there is a gap between a promising material and a functional device. Finding stable contacts…
Mechanistically-guided materials chemistry: synthesis of new ternary nitrides, CaZrN and CaHfN
Christopher L. Rom, Andrew Novick, Matthew J. McDermott +13
Recent computational studies have predicted many new ternary nitrides, revealing synthetic opportunities in this underexplored phase space. However, synthesizing new ternary nitrid…
The Mixing Thermodynamics and Local Structure of High-entropy Alloys from Randomly Sampled Ordered Configurations
Andrew Novick, Quan Nguyen, Roman Garnett +2
A general method is presented for modeling high entropy alloys as ensembles of randomly sampled, ordered configurations on a given lattice. Statistical mechanics is applied post ho…
The role of disorder in the synthesis of metastable zinc zirconium nitrides
Rachel Woods-Robinson, Vladan Stevanović, Stephan Lany +4
In materials science, it is often assumed that ground state crystal structures predicted by density functional theory are the easiest polymorphs to synthesize. Ternary nitride mate…