TY - JOUR AU - Aguado Rodríguez, Andrés AU - López Rodríguez, José Manuel AU - Alonso Martín, Julio Alfonso PY - 2000 UR - http://uvadoc.uva.es/handle/10324/2510 AB - An ab initio study of the doping of alkali halide crystals (AX: A=Li, Na, K, Rb; X = F, Cl, Br, I) by ns^2 anions (Ag^- and Cu^-) is presented. Large active clusters with 179 ions embedded in the surrounding crystalline lattice are considered in... LA - eng KW - Cristalografía TI - Ab initio calculation of the lattice distortions induced by substitutional Ag^- and Cu^- impurities in alkali halide crystals DO - 10.1103/PhysRevB.62.3086 ER -