The chemical bond is always considered from different points of view, depending or on the chemical and physical aspects to be examined. In both cases, description of the chemical bond are chosen that are appropriate for the particular research or application. Therefore, there are significant differences in the understanding as what constitutes chemical bonding. This is acceptable in practice but proves to be a hindrance for true interdisciplinarity. The concept of the chemical bond offer a firm basis upon which to forge links not only within chemistry but also to all related sciences. The general desire and the growing necessity for interdisciplinary collaboration requires a careful treatment of these concepts and, if possible, a tightening and standardization to a level that is widely acceptable and beneficial. In the age of tremendously fast development of computers and computer science, we believe that the electron localization function (ELF) provides a new description of the chemical bond for almost all classes of compounds. Its graphical language earns it the ultimate qualification for enhanced interdisciplinarity.

ELF: The Electron Localization Function

Die Gesichtspunkte, unter denen die Frage nach der chemischen Bindung gestellt wird, hangen davon ab, welche Verbindungsklassen oder welche chemisch-physikalischen Aspekte behandelt werden sollen, d.h. man wahlt jeweils die zum Forschungs- und Anwendungshintergrund passenden Beschreibungsschemata fur die chemische Bindung aus. So existieren bedeutende Unterschiede im Verstandnis dessen, was chemische Bindung ist. Dieser Umstand fuhrt zu Trennungen, die vielleicht aus praktischen Grunden verstandlich, aber im Sinne einer echten Interdisziplinaritat sehr hinderlich sind. Dabei bieten gerade die Konzepte der chemischen Bindung eine ungeheuer tragfahige Basis, um nicht nur innerhalb der Chemie, sondern auch zu allen benachbarten Wissenschaften Brucken zu schlagen. Der allgemeine Wunsch nach interdisziplinarer Zusammenarbeit und die zweifellos gewachsene Notwendigkeit hierfur erfordern eine pflegliche Behandlung dieser Konzepte und, wenn moglich, eine Straffung und Vereinheitlichung, die moglichst vielen akzeptabel erscheint und hilfreich wird. Wir glauben, das die Elektronenlokalisierungsfunktion (ELF) in der Ara einer lawinenartigen Computer- und Informatikentwicklung eine neue Beschreibung der chemischen Bindung fur nahezu alle Stoffklassen ermoglicht und durch ihre Bildsprache entscheidend zu einer erweiterten Interdisziplinaritat beitragen sollte.

Die Elektronenlokalisierungsfunktion ELF

Publisher Summary This chapter discusses the magnetic properties of ternary rare-earth transition-metal compounds. The magnetism of pure elements concerns the properties of about 20 metals, mostly from the 3d or 4f series. Binary intermetallic compounds are much more numerous. Magnetic binaries may involve one or both elements with magnetic moments. Composition adds a further dimension, with many binary diagrams exhibiting ranges of solid solubility and a number of intermetallic phases, each with its particular structure. Sometimes, the distinction is a matter of site preference, such as ordered substitution of one quarter of the sites of the fcc structure leads to a Cu 3 Au-type structure compound, whereas complete disorder produces an A 75 B 25 fcc solid solution. The magnetic properties of binary intermetallic compounds, usually involving a 3d or 4f element, and sometimes both, are reviewed in the chapter. The order of decreasing transition-metal content the magnetic properties of ternaries with structures related to a binary structure type is discussed. The true ternary compounds are also discussed in the chapter.

Chapter 1 Magnetic properties of ternary rare-earth transition-metal compounds

Intermetallische Phasen gehoren seit jeher zu den schwarzen Schafen in der Herde der chemischen Verbindungen, denn ihre chemische Bindung lies sich nicht mit den sonst unglaublich gut funktionierenden Valenzregeln beschreiben. Das hat dazu gefuhrt, das das Wissen uber Struktur-Bindungs-Beziehungen in diesen Phasen bis heute recht gering ist, obwohl sie die umfangreichste Gruppe anorganischer Verbindungen bilden. Wegen ihrer breiten Anwendung in der Technik und ihrer variantenreichen Strukturchemie sind neue Ansatze zum Verstandnis ihrer Strukturen, Elektronenstrukturen und physikalischen Eigenschaften dringend notig. Aus der Kombination neuer experimenteller und theoretischer Befunde ergeben sich unerwartet viele Hinweise auf gerichtete chemische Bindungen in Metallen, die eine Linie von den Valenz-uber Cluster- und Elektronenmangelverbindungen zu den intermetallischen Phasen sichtbar werden lassen.

Chemische Bindungen ‐ intermetallische Verbindungen

Stable crystalline compound analogs of ternary quasicrystals are successfully isolated by quantum structural diagrams, which also predict many possible new quasicrystals. Physical mechanisms responsible for the formation and certain features of quasicrystals are suggested, including the six-dimensionality of the hypercubic protolattices.

Icosahedral Quasicrystals and Quantum Structural Diagrams

The three-dimensional stability diagram developed for binary systems to predict compound formation is applied to ternary systems The separation into systems forming compounds and systems not forming compounds is based on the experimental data of 7200 ternary systems This method of separation is accurate to 94%

A semiempirical approach to the prediction of compound formation for 96446 ternary alloy systems: II

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A semiempirical approach to the prediction of compound formation for 96446 ternary alloy systems: II