Quasiparticle and optical properties of BeH2

• The quasiparticle and optical properties of BeH2 are computed by means of the all-electron GW approximation in conjunction with the projector augmented wave (PAW) method. The GW approximation, through the calculation of the self-energy and the optical dielectric function in the random phase approximation, shows that BeH2 is a large band gap insulator. The results are discussed in view of future experiments.

Subject headings

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Keyword

Physics

Fysik

Publication and Content Type

ref (subject category)

art (subject category)