Titlebook: Handbook of the Band Structure of Elemental Solids; From Z = 1 To Z = 11 Dimitris A. Papaconstantopoulos Book 2015Latest edition Springer S

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The Diamond Structure, silicon and germanium the diamond structure is clearly the ground state. However, for tin our total energy calculations show the diamond, beta-tin and simple hexagonal (shex) structures very close in energy. The LDA gives the shex as the ground state and the GGA gives the diamond as the lowest ener

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Group 15 Elements: Pnictogens,ork we performed calculations in only the cubic phases and found that the lowest energy occurs in the simple cubic structure. In addition to the total energy diagrams we present energy bands and densities of states, with values at the Fermi level similar to the free-electron-like metals. We also inc

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Group 16 Elements: Chalcogens,lculations in only the cubic structures and found that the lowest energy occurs in the simple cubic lattice. For Se and Te we indicate in the total energy diagram, the lowest energy corresponding to monoclinic and trigonal lattices [1]. Polonium is the only element in the periodic table that crystal

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Group 17 Elements: Halogens,e are orthorhombic in nature. In this study we present calculations of hypothetical cubic structures of the Halogens for the purpose of making comparisons with the neighboring 16th and 18th columns of the periodic table. They are all predicted as metals in these hypothetical structures with ground s

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Lanthanides,nds and DOS figures the f-bands are positioned above the Fermi level for La. As we examine the energy bands and DOS for the rest of the elements (except for Lu for which we show total energies for fcc and bcc with a standard method) in this row we note that Ef is located inside the f-bands and final

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