Landolt-Börnstein - Group III Condensed Matter Group IIA (alkaline earth metals): Be, Mg, Ca, Sr, Ba,


This chapter illustrates electronic structure of surfaces of group IIA (alkaline earth metals, Beryllium (Be), Magnesium (Mg), Calcium (Ca), Strontium (Sr), Barium (Ba)). An analysis of the electronic structure in Be slabs with an ab initio LCAO HF method is presented. Band structure, electronic density and density of states are determined for thin films of 1 to 4 atomic layers of Be. This chapter illustrates real- and reciprocal-space lattices, projected band structures, energy bands, dispersion of the surface states, and surface electronic structures of Be. Illustrations also include real- and reciprocal-space lattices of hcp Mg, binding energy of Mg(0001) surface states, surface-electronic structure of Mg(0001), projected bulk band structure of the (001) and (111) face of Ca, and theoretical electron structure of the (001) and (111) surface of Ca. Self-consistent pseudopotential calculation of the (001) projected band structure of strontium (Sr) together with the surface bands, and self-consistent pseudopotential calculation of the electronic structure of Ba(001) are also figured out. Orbital and bond populations of Be according to a Mulliken analysis, and characteristic energies of the bulk and surface valence-band spectra of Ca, Sr, and Ba are finally tabulated.

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Title Group IIA (alkaline earth metals): Be, Mg, Ca, Sr, Ba,
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Electronic and Vibrational Properties
3.1.2 Data
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Landolt-Börnstein - Group III Condensed Matter
  • G. Chiarotti
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  • K. Jakobi
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