35 citations · 57 across the 4 of their papers we have counts for
4 papers
Heterostructure Engineering for Wurtzite LaN
Andrew J. E. Rowberg, Sai Mu, Chris G. Van de Walle
Wurtzite LaN (wz-LaN) is a semiconducting nitride with favorable piezoelectric and ferroelectric properties, making it promising for applications in electronics. We use first-princ…
First-principles study of electron transport in ScN
Sai Mu, Andrew J. E. Rowberg, Joshua Leveillee +2
We investigate the conduction-band structure and electron mobility in rocksalt ScN based on density functional theory. The first-principles band structure allows us to obtain band…
Hydride Conductivity in Nitride Hydrides
Andrew J. E. Rowberg, Chris G. Van de Walle
Nitride hydrides are a largely unexplored class of materials with promising applications in solid-state hydrogen fuel cells. Here, we use first-principles calculations to character…
Understanding Carbon Contamination in Proton Conducting Oxides
Andrew J. E. Rowberg, Michael W. Swift, Chris G. Van de Walle
Carbon contamination is a significant concern for proton-conducting oxides in the cerate and zirconate family, particularly for BaCeO. Here, we use first-principles calculation…