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Band structure of cubic hydrides

Record Type:	Electronic resources : Monograph/item
Title/Author:	Band structure of cubic hydridesby Dimitrios A. Papaconstantopoulos.
Author:	Papaconstantopoulos, D. A.
Published:	Cham :Springer International Publishing :2023.
Description:	xiii, 688 p. :ill., digital ;24 cm.
Contained By:	Springer Nature eBook
Subject:	Electronic structure.
Online resource:	https://doi.org/10.1007/978-3-031-06878-2
ISBN:	9783031068782$q(electronic bk.)

Band structure of cubic hydrides
Papaconstantopoulos, D. A.

Band structure of cubic hydrides[electronic resource] /by Dimitrios A. Papaconstantopoulos. - Cham :Springer International Publishing :2023. - xiii, 688 p. :ill., digital ;24 cm.

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.

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 reader's 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.

ISBN: 9783031068782$q(electronic bk.)

Standard No.: 10.1007/978-3-031-06878-2doiSubjects--Topical Terms:

208152
Electronic structure.

LC Class. No.: QC176.8.E4 / P36 2023

Dewey Class. No.: 530.411

Band structure of cubic hydrides
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100 1 $a Papaconstantopoulos, D. A. $3 947279
245 1 0 $a Band structure of cubic hydrides $h [electronic resource] / $c by Dimitrios A. Papaconstantopoulos.
260 $a Cham : $b Springer International Publishing : $b Imprint: Springer, $c 2023.
300 $a xiii, 688 p. : $b ill., digital ; $c 24 cm.
505 0 $a 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.
520 $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 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 reader's 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.
650 0 $a Electronic structure. $3 208152
650 0 $a Hydrides. $3 576901
650 1 4 $a Electronic Structure Calculations. $3 929154
650 2 4 $a Quantum Physics. $3 275010
650 2 4 $a Quantum Chemistry. $3 921415
650 2 4 $a Density Functional Theory. $3 944056
710 2 $a SpringerLink (Online service) $3 273601
773 0 $t Springer Nature eBook
856 4 0 $u https://doi.org/10.1007/978-3-031-06878-2
950 $a Physics and Astronomy (SpringerNature-11651)