153 citations · 892 across the 22 of their papers we have counts for
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Pressure-induced phase transition in the electronic structure of palladium nitride
Daniel Åberg, Paul Erhart, Jonathan Crowhurst +3
We present a combined theoretical and experimental study of the electronic structure and equation of state (EOS) of crystalline PdN2. The compound forms above 58 GPa in the pyrite…
Intrinsic point defects in aluminum antimonide
Daniel Åberg, Paul Erhart, Andrew J. Williamson +1
Calculations within density functional theory on the basis of the local density approximation are carried out to study the properties of intrinsic point defects in aluminum antimon…
Thermodynamic ground states of platinum metal nitrides
Daniel Åberg, Babak Sadigh, Jonathan Crowhurst +1
The thermodynamic stabilities of various phases of the nitrides of the platinum metal elements are systematically studied using density functional theory. It is shown that for the…
The Urbach tail in silica glass from first principles
Babak Sadigh, Paul Erhart, Daniel Åberg +3
We present density-functional theory calculations of the optical absorption spectra of silica glass for temperatures up to 2400 K. The calculated spectra exhibit exponential tails…
Extrinsic point defects in aluminum antimonide
Paul Erhart, Daniel Åberg, Vincenzo Lordi
We investigate thermodynamic and electronic properties of group IV (C, Si, Ge, Sn) and group VI (O, S, Se, Te) impurities as well as P and H in aluminum antimonide (AlSb) using fir…