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- W1906332711 abstract "Recent advances in the theory of bonding and the structural properties of solids have shown that simplified many-atom bonding theories utilizing various tight-binding-based approximations to the electronic density-of-states distributions are capable of systematizing experimental data as well as the results of ab initio theoretical calculations for a wide variety of solids including metallic compounds.123 Such theories are also capable of making useful predictions of the energetics of point defects and disorder, solution energetics, and deviations from stoichiometry.4 In this article, I will describe a simple second-moment-approximation-based many-atom bonding theory, including magnetic contributions to cohesive energy, for the families of permanent magnet compounds RE2TM17 and RE2TM14B (where RE is a rare-earth metal and TM a transition metal). The use of the theory to describe the systematics of energies and volumes of formation, solute locations, and energetics, as well as the energetics of point-defect formation and nonstoichiometry, will be discussed." @default.
- W1906332711 created "2016-06-24" @default.
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- W1906332711 date "1997-04-15" @default.
- W1906332711 modified "2023-10-14" @default.
- W1906332711 title "Theoretical analysis of chemical bonding and solute systematics in RE2TM17 and RE2TM4B compounds (abstract)" @default.
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- W1906332711 doi "https://doi.org/10.1063/1.364794" @default.
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