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Title
Band structure of cubic hydrides / Dimitrios A. Papaconstantopoulos.
ISBN
9783031068782 (electronic bk.)
3031068785 (electronic bk.)
9783031068775
3031068777
Published
Cham : Springer, 2022.
Language
English
Description
1 online resource (1 volume) : illustrations (black and white, and colour).
Item Number
10.1007/978-3-031-06878-2 doi
Call Number
QC176.8.E4
Dewey Decimal Classification
530.4/11
Summary
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 with an introduction to the theory and details of the computational methods implemented, this handbook presents a collection of chapters containing results for different classes of cubic hydrides, featuring tables of three-centre and two-centre tight-binding parameterizations, diagrams of energy bands, and densities of states with angular momentum decomposition. Equilibrium lattice parameters and bulk moduli are also included, along with the electron-ion matrix element (Hopfield-McMillan parameter), Stoner criterion for ferromagnetism and values of Fermi velocities and plasmon energies. Each chapter features a brief text explaining the results presented with comparison to experimental values when available. A selection of the implemented computer codes is reproduced for the readers own use. This handbook is an ideal complement to any standard electronic structure text for students and researchers in materials science, condensed matter physics, and quantum chemistry.
Bibliography, etc. Note
Includes bibliographical references and index.
Access Note
Access limited to authorized users.
Source of Description
Description based on print version record.
Introduction (theory and computational details)
Alkali metal mono-hydrides
Alkaline earth metal mono-hydrides
3d Transition-metal mono-hydrides
4d Transition-metal mono-hydrides
5d Transition-metal mono-hydrides
Free-electron-like metal mono-hydrides
C-Si-Ge-Sn mono-hydrides
Pnictogen mono-hydrides
Chalcogen mono-hydrides
Halogen mono-hydrides
Noble gas mono-hydrides
Lanthanide mono-hydrides
Actinide mono-hydrides.
