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Quantum Mechanical Study of the Lattice Distortions Induced by Aliovalent Pb 2+ Impurities in Alkali Halides
Author(s) -
Aguado A.
Publication year - 2002
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/1521-3951(200202)229:3<1109::aid-pssb1109>3.0.co;2-a
Subject(s) - impurity , lattice (music) , alkali metal , condensed matter physics , ion , halide , physics , cluster (spacecraft) , chemistry , quantum mechanics , computer science , inorganic chemistry , acoustics , programming language
Selected as Editor's Choice , the present issue features a theoretical study of the lattice distortions around a Pb 2+ substitutional impurity in NaI, RbI and CsF crystals by means of an embedded cluster analysis. The work has been performed by Andrés Aguado, formerly at the University of Valladolid (Spain) where he received a special mention from the Spanish Royal Society of Physics as best national young theoretical physicist, and now collaborating with the group of Paul A. Maddon at the University of Oxford. The cover picture shows a 3D visualization of the lattice distortions (exaggerated by a factor of 3) induced by Pb 2+ in RbI with blue, red and yellow spheres representing Rb + , I — and Pb 2+ ions, respectively, taken from Fig. 1 of the article in phys. stat. sol. (b) 229 , 1335 (2002) [1]. This issue contains a second Editor's Choice paper entitled “Charge‐Density‐Wave Domain Originated Altshular‐Aronov‐Spivak Effect in 1T‐TaS 2 Single Crystals” by T. Isa et al. [2].