314 citations · 1.9k across the 22 of their papers we have counts for
4 papers · 1 filter
Half-Metallic Ferromagnetism in Transition-Metal Doped Boron Nitride Nanotubes
H. J. Xiang, Jinlong Yang, J. G. Hou +1
We have studied zig-zag boron nitride (BN) nanotubes doped with the Ni hexagonal-closepacked nanowire. The doped BN nanotubes are ferromagnetic metals with substantial magnetism. S…
Electron-Phonon Coupling in Boron-Doped Diamond Superconductor
H. J. Xiang, Zhenyu Li, Jinlong Yang +2
The electronic structure, lattice dynamics, and electron-phonon coupling of the boron-doped diamond are investigated using the density functional supercell method. Our results indi…
Geometrical, electronic and magnetic properties of NaCoO from first principles
Zhenyu Li, Jinlong Yang, J. G. Hou +1
We report a first-principles projector augmented wave (PAW) study on NaCoO. With the sodium ion ordered insulating phase being identified in experiments, pure density f…
First principles lattice dynamics of NaCoO
Zhenyu Li, Jinlong Yang, J. G. Hou +1
We report first principles linear response calculations on NaCoO. Phonon frequencies and eigenvectors are obtained throughout the Brillouin zone for two geometries with differe…