<?xml version="1.0" encoding="UTF-8"?><xml><records><record><source-app name="Biblio" version="7.x">Drupal-Biblio</source-app><ref-type>10</ref-type><contributors><authors><author><style face="normal" font="default" size="100%">P.H. Dederichs</style></author><author><style face="normal" font="default" size="100%">N. Papanikolaou</style></author><author><style face="normal" font="default" size="100%">N. Stefanou</style></author><author><style face="normal" font="default" size="100%">R. Zeller</style></author></authors></contributors><titles><title><style face="normal" font="default" size="100%">Lattice relaxations around impurities in metals</style></title><secondary-title><style face="normal" font="default" size="100%">Novel Materials-Design and Properties</style></secondary-title></titles><dates><year><style  face="normal" font="default" size="100%">1998</style></year></dates><publisher><style face="normal" font="default" size="100%">Nova Science Publishers, Inc.</style></publisher><pub-location><style face="normal" font="default" size="100%">Puri, India</style></pub-location><pages><style face="normal" font="default" size="100%">135-145</style></pages><language><style face="normal" font="default" size="100%">eng</style></language><abstract><style face="normal" font="default" size="100%">We review first-principles calculations of the size effect in dilute transition-metal alloys. The calculations apply local density functional theory and a Green's function method based on the KKR multiple-scattering formalism. In each cell, the full anisotropic potential in included and the forces on the atoms are calculated by the Hellmann-Feynman theorem. The method is applied to predict the atomic positions around d+sp impurities in Cu and Al. The results compare favorably with experimental data from extended X-ray-absorption-fine-structure and lattice-parameter measurements.</style></abstract></record></records></xml>