Ab initio origin of optical anisotropy in Ag(110)
Abstract
We have studied optical anisotropy in Ag(110) surface through interband transitions based on energy bands calculated through ab initio self-consistent method of linear muffin tin orbitals. The calculated imaginary part of the dielectric constant ɛ2(ω) shows an important anisotropy between ɛ⊥2(ω) and ɛ||2(ω) for perpendicular and parallel to the surface polarization of light. Moreover, for ɛ||2(ω) there is an anisotropy between ɛx2(ω) and ɛy2(ω) when light is polarized in [11¯0] and [001] directions. This latter anisotropy has been observed experimentally. Our results explain their origin through surface, subsurface, and sub-subsurface interband transitions based on first-principles calculations.
- Publication:
-
Physical Review B
- Pub Date:
- May 2001
- DOI:
- 10.1103/PhysRevB.63.195409
- Bibcode:
- 2001PhRvB..63s5409B
- Keywords:
-
- 73.20.At;
- 78.20.-e;
- 78.40.Kc;
- Surface states band structure electron density of states;
- Optical properties of bulk materials and thin films;
- Metals semimetals and alloys