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Equilibrium Bond Lengths in Monoatomic Lattices of Metal Atoms as Function of Coordination Number
Author(s) -
March N.H.,
Rubio A.
Publication year - 1998
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/(sici)1521-3951(199806)207:2<311::aid-pssb311>3.0.co;2-f
Subject(s) - monatomic gas , dimer , coordination number , metal , function (biology) , atomic number , bond length , chemistry , work (physics) , atomic physics , physics , quantum mechanics , molecule , ion , organic chemistry , evolutionary biology , biology
A recent work of Schmidt and Springborg on one‐dimensional chains of metal atoms has prompted us to use a quantum‐chemical model, posed in terms of dimer potential energy curves, to analyze equlibrium near‐neighbour distances r 0 as a function of local coordination number c . For five monoatomic metal atoms, H, K, Al, Pb and Bi, values of r 0 are available for three or more different lattices. The increase of r 0 from the dimer value correlates with c 1/2 in the same general manner for four of the five atoms considered, Al being the exceptional case according to present theoretical calculations.