Titlebook: Band Structure of Cubic Hydrides; Dimitrios A. Papaconstantopoulos Book 2023 The Editor(s) (if applicable) and The Author(s), under exclus

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meterizations in orthogonal, non-orthogonal, three-centre, a.This book compiles detailed results of electronic structure calculations for most possible cubic monohydrides, dihydrides and selected trihydrides related to superconductivity, comprising elements with atomic numbers up to 103. Beginning w

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Handbuch des Wissenschaftstransfersgy gap is significantly underestimated as is expected in LDA calculations. The calculated equilibrium lattice parameters differ from experiment by about 3%. It is noted that in both NaCl and CsCl the chlorine p-states are dominant just below the gap.

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Grundlagen der Massebestimmung,establish various trends. This group contains the classic semiconductor elements Si and Ge which with the addition of hydrogen become metallic. CH is found in a large number of polymers and clusters of the form CnH (2n+2).

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https://doi.org/10.1007/978-3-642-94287-7nd experimentally and are presented here for the purpose of comparison through the periodic Table and to establish various trends. However, under high pressure at at least FH3 and ClH3 have been investigated as possible high temperature superconductors at high pressure. The Hopfield-McMillan parameter for the F site is very large similarly to OH.

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R. Zelle,R. Korn,K. Gordan,W. Lehmannthe density of states at the Fermi level with hydrogen s-like character. Examining the energy bands and densities of states figures we observe that, as in the groups (14–17 columns), the lowest band has a mixture of s–H hydrogen and s-character of the other element.

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Group 14 Hydrides,establish various trends. This group contains the classic semiconductor elements Si and Ge which with the addition of hydrogen become metallic. CH is found in a large number of polymers and clusters of the form CnH (2n+2).

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