Chemical Properties
Correlation between the Ionicity Character and the Charge Density in Semiconductors
A.Zaoui,(a), M. FerHat (b), B' Knrlmn (b)' J' P' Duroun (c)' and H' Aounag (a) First published: 1 September 1994 …
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chemical calculations
Ionicity in Solids
Richard Richard A Catlow A M Stoneham Abstract The authors review the use of the ideas of 'ionicity' and 'covalency&#…
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chemical calculations
Atomic Pseudopotentials and the Ionicity Parameter of Phillips and Van Vechten
D. J. Chadi, Marvin L. Cohen, and W. D. Grobman Phys. Rev. B 8 , 5587 – Published 15 December 1973 ABSTRACT Possible relations between the…
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Chemistry
Pauling's Ionicity and Phillips' Ionicity
Takehiko Hidaka 1 1 Electrotechnical Laboratory Received September 8, 1977 The relation between Pauling's ionicity and Phillips' ioni…
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chemical calculations
Revisiting the Phillips ionicity of conductors and the quantitative determination of the hardness of carbides and nitrides of transition metals using the LDA U technique
Author links open overlay panel C. Li J.C. Li Q. Jiang Key Laboratory of Automobile Materials, Ministry of Education, and School of Materials Scie…
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chemical calculations
Covalent and ionic crystal radii and Phillips ionicity
Author links open overlay panel H. Blank Institut für Transurane (EURATOM), 75 Karlsruhe, Postfach 2266, Germany Received 15 April 1974, Avail…
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chemical calculations
Phillips Ionicity and Structural Classification of Layered Transition Metal Dichalcogenides
V. P. Gupta O. P. Singh First published: 1 September 1984 Introduction very interesting group of materials. In these materials,…
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chemical calculations
First-principles ionicity scales.
I. Charge asymmetry in the solid state Alberto GarcÃa and Marvin L. Cohen Phys. Rev. B 47 , 4215 – Published 15 February 1993 ABSTRACT Us…
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chemical calculations
Ionicity of the Chemical Bond in Crystals
J. C. PHILLIPS Rev. Mod. Phys. 42 , 317 – Published 1 July 1970 ABSTRACT The nature of the chemical bond in crystals is discussed. The gen…
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chemical calculations
Bonding and ionicity in semiconductors
N. E. Christensen, S. Satpathy, and Z. Pawlowska Phys. Rev. B 36 , 1032 – Published 15 July 1987 ABSTRACT Theoretical investigations of th…
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