%0 Journal Article
%A Akola, J.
%A Rytkönen, K.
%A Manninen, M.
%T Metallic evolution of small magnesium clusters
%J The European physical journal / D
%V 16
%@ 1434-6060
%C Berlin
%I Springer
%M PreJuSER-44011
%P 21
%D 2001
%Z Record converted from VDB: 12.11.2012
%X Structural and electronic properties of small magnesium clusters (N less than or equal to 13) are studied using a first-principles simulation method in conjunction with the density functional theory and generalized gradient correction approximation for the exchange-correlation energy functional. It is observed that the onset of metallization of magnesium clusters is hard to assign since both the s-p hybridization and the energy gap between the valence and conduction bands do not evolve rapidly towards the known bulk properties. Instead these quantities show a slow and nonmonotonic evolution.
%K J (WoSType)
%F PUB:(DE-HGF)16
%9 Journal Article
%U <Go to ISI:>//WOS:000172039400005
%R 10.1007/s100530170051
%U https://juser.fz-juelich.de/record/44011