Literature DB >> 12465984

A classification of covalent, ionic, and metallic solids based on the electron density.

Paula Mori-Sánchez1, A Martín Pendás, Víctor Luaña.   

Abstract

The electron density of crystals contains all of the information required to complete a classification of their bonding types. We propose here a set of three different indexes, flatness, charge transfer, and molecularity, easily obtained from the experimental or theoretical electron density, which give rise to a classification in close resemblance to the classical van Arkel-Ketelaar diagrams.

Entities:  

Year:  2002        PMID: 12465984     DOI: 10.1021/ja027708t

Source DB:  PubMed          Journal:  J Am Chem Soc        ISSN: 0002-7863            Impact factor:   15.419


  3 in total

1.  Influences of Multicenter Bonding and Interstitial Elements on Twinned γ-TiAl Crystal.

Authors:  Zehang Fu; Jinkai Wang; Hao Wang; Xiaogang Lu; Yanlin He; Ying Chen
Journal:  Materials (Basel)       Date:  2020-04-25       Impact factor: 3.623

2.  Discontinuity in the Electronic Structure and Magnetic Order of β-Co1+xGa1-x.

Authors:  Gerhard H Fecher
Journal:  Materials (Basel)       Date:  2022-08-11       Impact factor: 3.748

3.  Structural, Elastic, Electronic and Optical Properties of SrTMO₃ (TM = Rh, Zr) Compounds: Insights from FP-LAPW Study.

Authors:  Areej M Shawahni; Mohammed S Abu-Jafar; Raed T Jaradat; Tarik Ouahrani; Rabah Khenata; Ahmad A Mousa; Khaled F Ilaiwi
Journal:  Materials (Basel)       Date:  2018-10-22       Impact factor: 3.623

  3 in total

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