204 citations · 418 across the 8 of their papers we have counts for
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Elastic constants of the II-IV nitride semiconductors MgSiN, MgGeN and MgSnN
Mikael Råsander, Michelle A. Moram
The single crystal elastic constants, polycrystalline elastic moduli and related properties of orthorhombic MgSiN, MgGeN and MgSnN have been calculated using dens…
On the thermal expansion in MgSiN
Mikael Råsander, Michelle A. Moram
The thermal expansion of the wide band gap semiconductor MgSiN has been determined using density functional calculations in combination with the quasi-harmonic approximation.…
Structure and lattice dynamics of the wide band gap semiconductors MgSiN and MgGeN
M. Råsander, J. B. Quirk, T. Wang +4
We have determined the structural and lattice dynamical properties of the orthorhombic, wide band gap semiconductors MgSiN and MgGeN using density functional theory. In…
Electron effective mass and mobility limits in degenerate perovskite stannate BaSnO
Christian A. Niedermeier, Sneha Rhode, Keisuke Ide +4
The high room temperature mobility and the electron effective mass in BaSnO are investigated in depth by evaluation of the free carrier absorption observed in infrared spectra…
Electronic structure of the high and low pressure polymorphs of MgSiN
Mikael Råsander, Michelle A. Moram
We have performed density functional calculations on the group II-IV nitride MgSiN. At a pressure of about 20~GPa the ground state wurtzite derived MgSiN structure (LP-…
On the accuracy of commonly used density functional approximations in determining the elastic constants of insulators and semiconductors
M. Råsander, M. A. Moram
We have performed density functional calculations using a range of local and semi-local as well as hybrid density functional approximations of the structure and elastic constants o…
PANIC: a 3D dislocation dynamics model for climb and glide in epitaxial films and heterostructures
Wai Yuen Fu, Colin J. Humphreys, Michelle A. Moram
This paper presents PANIC, a 3D discrete mesoscale dislocation dynamics model which includes a fully quantitative treatment of both dislocation climb and dislocation glide, includi…
Tunable optoelectronic and ferroelectric properties in Sc-based III-nitrides
Siyuan Zhang, David Holec, Wai Y. Fu +2
Sc-based III-nitride alloys were studied using Density Functional Theory with special quasi-random structures and were found to retain wide band gaps which stay direct up to x = 0.…