303 citations · 541 across the 4 of their papers we have counts for
4 papers
Reliable Density Functional Theory Predictions of Bandgaps for Materials
Chenxi Lu, Musen Li, Michael J. Ford +3
We consider methods for optimizing the bandgap calculation of 3D materials, considering 340 sample materials. Examined are the effects of the choice of the pseudopotential to descr…
Defect states in hexagonal boron nitride: Assignments of observed properties and prediction of properties relevant to quantum computation
A. Sajid, Jeffrey R. Reimers, Michael J. Ford
Key properties of nine possible defect sites in hexagonal boron nitride (h-BN) are predicted using density-functional theory and are corrected by applying results from high-level a…
A review of the optical properties of alloys and intermetallics for plasmonics
Martin G Blaber, Matthew D Arnold, Michael J Ford
Alternative materials are required to enhance the efficacy of plasmonic devices. We discuss the optical properties of a number of alloys, doped metals, intermetallics, silicides, m…
Designing materials for plasmonic systems
Martin G. Blaber, Matthew D. Arnold, Michael J. Ford
We use electronic structure calculations based upon density functional theory to search for ideal plasmonic materials among the alkali noble intermetallics. Importantly, we use den…