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Article
Bandgap opening in few-layered monoclinic MoTe2
Monoclinic transition metal dichalcogenides offer the possibility of topological quantum devices, but they are difficult to realize. One route may be through switching from the common hexagonal phase, for whic...
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Article
First-Principles Study of Ferromagnetism in Mn-Doped GaN
We investigate the magnetic properties of Mn-doped GaN through first-principles pseudopotential calculations within the spin-density-functional approximation. We examine the nature of magnetic interactions bet...
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Chapter and Conference Paper
First principles study of the lattice dynamical behavior of AlAs
The ab initio pseudopotential method is used to examine lattice-dynamical properties of AlAs. The phonon frequencies at Γ and X in the Brillouin zone, the pressure dependence of the phonon modes, and the longitud...