2 papers
cond-mat.mtrl-sci2005
Huge excitonic effects in layered hexagonal boron nitride
B. Arnaud, S. Lebègue, P. Rabiller +1
The calculated quasiparticle band structure of bulk hexagonal boron nitride using the all-electron GW approximation shows that this compound is an indirect-band-gap semiconductor.…
cond-mat.mtrl-sci2003
Pressure-Induced Simultaneous Metal-Insulator and Structural-Phase Transitions in LiH: a Quasiparticle Study
S. Lebègue, M. Alouani, B. Arnaud +1
A pressure-induced simultaneous metal-insulator transition (MIT) and structural-phase transformation in lithium hydride with about 1% volume collapse has been predicted by means of…