Van Arkel—Ketelaar triangles

Allen, Leland C.; Capitani, Joseph F.; Kolks, Gary; Sproul, Gordon

doi:10.1016/0022-2860(93)87053-c

Cited by 37 publications

(33 citation statements)

References 3 publications

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“…For this purpose, use of the electronegativity data defined by Allen et al [36] will be shown to be useful. Judging from the electronegativity data for α-Mn listed in Table 2, we consider it to be positioned in between Al and Si, or about 45% covalency on the side MC of the map shown in Figure 29.…”

Section: High-pressure Metallic Br (Oi2)mentioning

confidence: 99%

“…The latter obviously reflects an increase in covalency at the expense of metallicity with increasing the atomic number, as indicated in Figure 28. Indeed, Allen et al [36] proposed that the degrees of covalency and ionicity for an Figure 28. (a) Na-partial DOSs and its separation energy E sp ≡ E s − E p for bcc Na (cI2) and (b) Cl-partial DOSs and its separation energy E sp for orthorhombic Cl (oS8) [11,12].…”

Section: Scaling Of Van Arkel-ketelaar Triangle In Terms Of Allen's Ementioning

confidence: 99%

“…Allen et al [36,38] proposed that the degrees of covalency and ionicity for an equiatomic binary compound AB can be scaled in terms of electronegativities they defined on the basis of spectroscopic data for free atoms. An equilateral triangle with vertices designated as metallic (M), ionic (I), and covalent (C), which has been known as the van Arkel-Ketelaar triangle [34,35], can be scaled in terms of Allen's electronegativity data to allow us to locate any binary equiatomic compound at an explicit position inside the triangle.…”

Section: Scaling Of Van Arkel-ketelaar Triangle In Terms Of Allen's Ementioning

confidence: 99%

“…As will be discussed in Section 3, we will evaluate the degree of bonding-types, metallic, covalent or ionic, by locating pure elements and equiatomic compounds on the van Arkel-Ketelaar triangle map [34,35]. For this purpose, use of the electronegativity data defined by Allen et al [36] will be shown to be useful. Judging from the electronegativity data for α-Mn listed in Table 2, we consider it to be positioned in between Al and Si, or about 45% covalency on the side MC of the map shown in Figure 29.…”

Section: High-pressure Metallic Br (Oi2)mentioning

confidence: 99%

“…According to Allen et al [36,38], the electronegativity for any element is defined as multiplet-averaged energy of the outermost s-and p-electrons in its free atom:…”

Section: Scaling Of Van Arkel-ketelaar Triangle In Terms Of Allen's Ementioning

confidence: 99%

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The Physics of the Hume-Rothery Electron Concentration Rule

Mizutani

Sato

2017

Crystals

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For a long time we have shared the belief that the physics of the Hume-Rothery electron concentration rule can be deepened only through thorough investigation of the interference phenomenon of itinerant electrons with a particular set of lattice planes, regardless of whether d-states are involved near the Fermi level or not. For this purpose, we have developed the FLAPW-Fourier theory (Full potential Linearized Augmented Plane Wave), which is capable of determining the square of the Fermi diameter, (2k F ) 2 , and the number of itinerant electrons per atom, e/a, as well as the set of lattice planes participating in the interference phenomenon. By determining these key parameters, we could test the interference condition and clarify how it contributes to the formation of a pseudogap at the Fermi level. Further significant progress has been made to allow us to equally handle transition metal (TM) elements and their compounds. A method of taking the center of gravity energy for energy distribution of electrons with a given electronic state has enabled us to eliminate the d-band anomaly and to determine effective (2k F ) 2 , and e/a, even for systems involving the d-band or an energy gap across the Fermi level. The e/a values for 54 elements covering from Group 1 up to Group 16 in the Periodic Table, including 3d-, 4d-and 5d-elements, were determined in a self-consistent manner. The FLAPW-Fourier theory faces its limit only for elements in Group 17 like insulating solids Cl and their compounds, although the value of e/a can be determined without difficulty when Br becomes metallic under high pressures. The origin of a pseudogap at the Fermi level for a large number of compounds has been successfully interpreted in terms of the interference condition, regardless of the bond-types involved in the van Arkel-Ketelaar triangle map.

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Section: High-pressure Metallic Br (Oi2)mentioning

confidence: 99%

Section: Scaling Of Van Arkel-ketelaar Triangle In Terms Of Allen's Ementioning

confidence: 99%

Section: Scaling Of Van Arkel-ketelaar Triangle In Terms Of Allen's Ementioning

confidence: 99%

Section: High-pressure Metallic Br (Oi2)mentioning

confidence: 99%

“…According to Allen et al [36,38], the electronegativity for any element is defined as multiplet-averaged energy of the outermost s-and p-electrons in its free atom:…”

Section: Scaling Of Van Arkel-ketelaar Triangle In Terms Of Allen's Ementioning

confidence: 99%

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The Physics of the Hume-Rothery Electron Concentration Rule

Mizutani

Sato

2017

Crystals

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Electronegativity and the Periodic Table

Allen

1998

Encyclopedia of Computational Chemistry

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Physical Properties of Fluorinated Compounds

Linclau

2024

PATAI'S Chemistry of Functional Groups

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Fluorinated compounds often have distinctive properties. In this chapter, the physical properties of fluorinated compounds are discussed. First, the characteristics of the fluorine atom itself are explained, followed by the characteristics of the CF bond and its associated stereoelectronic effects. This allows understanding of the electronic and steric effects of fluorine and fluorinated groups, which is discussed in the following sections, as well as the influence of fluorination on macroscopic properties, discussed in the final section.

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Van Arkel—Ketelaar triangles

Cited by 37 publications

References 3 publications

The Physics of the Hume-Rothery Electron Concentration Rule

The Physics of the Hume-Rothery Electron Concentration Rule

Electronegativity and the Periodic Table

Physical Properties of Fluorinated Compounds

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