Evidence for an ionic model of3dimpurities in metals

1976 ◽  
Vol 14 (4) ◽  
pp. 1395-1400 ◽  
Author(s):  
John A. Gardner
Keyword(s):  
1976 ◽  
pp. 372-372
Author(s):  
U. Strom ◽  
P. C. Taylor ◽  
S. G. Bishop ◽  
T. L. Reinecke ◽  
K. L. Ngai

2017 ◽  
Vol 22 (11) ◽  
pp. 1-35
Author(s):  
Mostafa Bendahmane ◽  
◽  
Fatima Mroue ◽  
Mazen Saad ◽  
Raafat Talhouk ◽  
...  

1989 ◽  
Vol 30 (14) ◽  
pp. 1781-1784 ◽  
Author(s):  
Marcetta Y. Darensbourg ◽  
Barbara Floris ◽  
Kay A. Youngdahl

Author(s):  
John A. Tossell ◽  
David J. Vaughan

The early descriptions of chemical bonding in minerals and geological materials utilized purely ionic models. Crystals were regarded as being made up of charged atoms or ions that could be represented by spheres of a particular radius. Based on interatomic distances obtained from the early work on crystal structures, ionic radii were calculated for the alkali halides (Wasastjerna, 1923) and then for many elements of geochemical interest by Goldschmidt (1926). Modifications to these radius values by Pauling (1927), and others took account of such factors as different coordination numbers and their effects on radii. The widespread adoption of ionic models by geochemists resulted both from the simplicity and ease of application of these models and from the success of rules based upon them. Pauling’s rules (1929) enabled the complex crystal structures of mineral groups such as the silicates to be understood and to a limited extent be predicted; Goldschmidt’s rules (1937) to some degree enabled the distribution of elements between mineral phases or mineral and melt to be understood and predicted. Such rules are further discussed in later chapters. Ionic approaches have also been used more recently in attempts to simulate the structures of complex solids, a topic discussed in detail in Chapter 3. Chemical bonding theory has, of course, been an important component of geochemistry and mineralogy since their inception. Any field with a base of experimental data as broad as that of mineralogy is critically dependent upon theory to give order to the data and to suggest priorities for the accumulation of new data. Just as the bond with predominantly ionic character was the first to be quantitatively understood within solidstate science, the ionic bonding model was the first used to interpret mineral properties. Indeed, modern studies described herein indicate that structural and energetic properties of some minerals may be adequately understood using this model. However, there are numerous indications that an ionic model is inadequate to explain many mineral properties. It also appears that some properties that may be rationalized within an ionic model may also be rationalized assuming other limiting bond types.


CrystEngComm ◽  
2020 ◽  
Vol 22 (43) ◽  
pp. 7399-7406
Author(s):  
James A. Odendal ◽  
Jocelyn C. Bruce ◽  
Klaus R. Koch ◽  
Delia A. Haynes

A combined CSD and experimental study shows that the ring stacking and laddering principle, an ionic model, gives insight into the crystal structures of secondary ammonium carboxylate salts.


2013 ◽  
Vol 702 ◽  
pp. 231-235 ◽  
Author(s):  
C.Y. Fong ◽  
Liam Damewood ◽  
L.H. Yang ◽  
C. Felser

We investigated two formula-units of Li1.5Mn0.5As alloys, such as Li3MnAs2, in the Cu2Sb crystal structure using an ab-initio algorithm. By interchanging Mn with each Li located at different positions of the Li4As2unit cell, four separate alloys are formed. At the optimized lattice constant, two of these alloys are predicted to be ferromagnetic metals and the other two are half metals. The possibility of half metallicity in the first two is also explored. Both the modified Slater-Pauling-Kübler rule and the ionic model can characterize the magnetic moments of the half metals.


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