TY  - JOUR
AU  - Akola, J.
AU  - Rytkönen, K.
AU  - Manninen, M.
TI  - Metallic evolution of small magnesium clusters
JO  - The European physical journal / D
VL  - 16
SN  - 1434-6060
CY  - Berlin
PB  - Springer
M1  - PreJuSER-44011
SP  - 21
PY  - 2001
N1  - Record converted from VDB: 12.11.2012
AB  - 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.
KW  - J (WoSType)
LB  - PUB:(DE-HGF)16
UR  - <Go to ISI:>//WOS:000172039400005
DO  - DOI:10.1007/s100530170051
UR  - https://juser.fz-juelich.de/record/44011
ER  -