01835nas a2200193   4500008004100000022001400041245009700055210006900152260007100221300001600292490000800308520110200316100001801418700001501436700001801451700002201469700002301491856012701514       2011                        eng d  a1089-563900aGrowth and structural properties of Mg-N (N=10-56) clusters: density functional theory study0 aGrowth and structural properties of MgN N1056 clusters density f  a1155 16TH ST, NW, WASHINGTON, DC 20036 USAbAMER CHEMICAL SOCcNOV  a12307-123140 v1153 a<p>Using the minima hopping global geometry optimization method on density functional potential energy surface, we have studied the structural and electronic properties of magnesium clusters for a size range of Mg-N where N = 10-56. Our exhaustive search reveals that most of our global minima are nonsymmetric in the size range above N = 20. We elucidate the evolutionary trend of the entire series and present more details about the peculiar growth of the clusters. For N&gt; 20, it is possible to divide the cluster into two regions: the core region and the surface region. It turns out that the growth follows a peculiar cyclic pattern where the core and surface grow alternatively. The surface energy, as a function of number of atoms shows a clear signature as the number of atoms in the core increases by one. We have also carried out stability analysis and the stable sizes(magic numbers) agree very well with the experimental magic numbers reported by Diederich [J. Chem. Phys. 2011, 134, 124302]. We point out the similarities and differences between our results and sodium clusters.</p>1 aHeidari, Ideh1 aDe, Sandip1 aGhazi, S., M.1 aGoedecker, Stefan1 aKanhere, Dilip, G.  uhttps://library.ncl.res.in/content/growth-and-structural-properties-mg-n-n10-56-clusters-density-functional-theory-study-0