The electronic structures of lithium metasilicate (${\mathrm{Li}}_2$${\mathrm{SiO}}_3$) and lithium disilicate (${\mathrm{Li}}_2$${\mathrm{Si}}_2$${\mathrm{O}}_5$) are calculated using a first-principles orthogonalized linear combination of atomic-orbitals method. Results are compared with experimental x-ray-photoemission spectra and earlier calculations on sodium metasilicate and sodium disilicates.

• Received 19 November 1984

DOI:https://doi.org/10.1103/PhysRevB.32.1203