LEADER 03151nam 2200481 450 001 9910672448603321 005 20230521131036.0 010 $a9783031068782$b(electronic bk.) 010 $z9783031068775 024 7 $a10.1007/978-3-031-06878-2 035 $a(MiAaPQ)EBC7206719 035 $a(Au-PeEL)EBL7206719 035 $a(CKB)26183516700041 035 $a(DE-He213)978-3-031-06878-2 035 $a(PPN)268208425 035 $a(EXLCZ)9926183516700041 100 $a20230521d2023 uy 0 101 0 $aeng 135 $aurcnu|||||||| 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aBand structure of cubic hydrides /$fDimitrios A. Papaconstantopoulos 205 $a1st ed. 2023. 210 1$aCham, Switzerland :$cSpringer,$d[2023] 210 4$dİ2023 215 $a1 online resource (686 pages) 300 $aIncludes index. 311 08$aPrint version: Papaconstantopoulos, Dimitrios A. Band Structure of Cubic Hydrides Cham : Springer International Publishing AG,c2023 9783031068775 327 $aIntroduction (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. 330 $aThis 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. 606 $aElectronic structure 606 $aHydrides 615 0$aElectronic structure. 615 0$aHydrides. 676 $a546.7112 700 $aPapaconstantopoulos$b D. A.$01359851 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 912 $a9910672448603321 996 $aBand structure of cubic hydrides$93375230 997 $aUNINA