First-Principles Study of Structural Prototypes for NaAIH4: Elevated Pressure Polymorph in Symmetry Fmm2 Leads to a Single-Step Decomposition Pathway

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Bibliographic Details
Published in:Journal of physical chemistry. C 2013, Vol.117 (17), p.8864-8870
Main Authors: MAJZOUB, E. H, HAZRATI, E, DE WIJS, G. A
Format: Article
Language:English
Subjects:
Composition and phase identification
Condensed matter: electronic structure, electrical, magnetic, and optical properties
Condensed matter: structure, mechanical and thermal properties
Electron states
Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures
Electronic transport phenomena in thin films and low-dimensional structures
Exact sciences and technology
Methods of electronic structure calculations
Physics
Surfaces and interfaces
thin films and whiskers (structure and nonelectronic properties)
Thin film structure and morphology
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ISSN:1932-7447
1932-7455