Dehybridization in RAl2Si2 compounds

TitleDehybridization in RAl2Si2 compounds
Publication TypeJournal Article
Year of Publication2014
AuthorsNikolyuk, PK, Yushchenko, AV, Stasenko, VA, Nikolaichuk, VYa.
Abbreviated Key TitleDopov. Nac. akad. nauk Ukr.
SectionMaterials Science
Date Published5/2014
The theoretical consideration of the dehybridization phenomenon for intermetallic isostructural compounds of the $R\text{Al}_{2}\text{Si}_{2}$ ($R$ – $\rm Sm$, $\rm Eu$, $\rm Gd$, $\rm Tb$, $\rm Er$, $\rm Yb$) row has been performed. The physical nature of the occasion of a $\delta$-like hump, value of which is proportional to the number of lattice sites $N$ formed by $R{-}{\rm Si}$ structural elements, is clarified. In comparison with a single admixture, the value of $\delta$-like hump is more by $N$ times. This is caused by that the orbitals $R{-}{\rm Si}$ play the role of electronic defects, which are periodically located in the frame of the crystal. The performed theoretical and experimental investigations show a great degree of correlation and self-consistency. This gives possibility to view $R{-}{\rm Si}$ bonds as specific electronic defects, which strongly perturb the electronic system of $R{\rm Al}_{2}{\rm Si}_{2}$ compounds. Such perturbation is displayed in arising the intense resonance humps of electronic states, which are formed in the valence zone of the intermetallids under study as a result of the dehybridization factor action.
Keywordsdehybridization, RAl2Si2 compounds

1. Nikoliuk P. K. Metallofiz. noveish. tekhnologii, 2001, 23, No. 1: 27–33 (in Ukrainian).
2. Nikoliuk P. K. Metallofiz. noveish. tekhnologii, 2001, 23, No. 8: 1111-1116 (in Ukrainian).
3. Nikoliuk P. K., Zuziak P. M., Martyniuk V. D. et al. Metallofiz. noveish. tekhnologii, 2002, 24, No. 11: 1477-1482 (in Ukrainian).
4. Zhurakovskiy E. A., Frantsevich I. N. X-ray spectra and electronic structure of silicides and germanides. Kyiv: Nauk. dumka, 1981: 46–299 (in Russian).
5. Jarlborg T., Barbielliny B., Markiewicz R. S., Bansil A. Phys. Rev. B., 2012, 86: 235111.
6. Jacobs T., Catterve S. O., Motzkau H. et al. Phys. Rev. B., 2012, 86: 214506.
7. Plonka N., Kemper A. F., Graser S. et al. Phys. Rev. B., 2013, 88: 174518.
8. Nikoliuk P. K., Nikolaichuk V. Ya., Dzis V. G. et al. Dopov. Nac. akad. nauk Ukr., 2007, No. 5: 104–109 (in Ukrainian).