Non-random Be-to-Zn substitution in ZnBeSe alloys: Raman scattering and ab initio calculations

European Physical Journal B

Volumn 73, Issue 4, 2010, Pages 461-469

  Pages O ^a   Postnikov, A V ^a   Chafi, A ^a   Bormann, D ^b   Simon, P ^b   Glas, F ^c   Firszt, F ^d   Paszkowicz, W ^e   Tournie E ^f  

^a UNIVERSITÉ DE LORRAINE   (France)

^b UNIVERSITÉ D'ORLÉANS   (France)

^c UNIV PARIS SUD   (France)

^d NICOLAUS COPERNICUS UNIVERSITY   (Poland)

^e INSTITUTE OF PHYSICS   (Poland)

^f UNIVERSITÉ MONTPELLIER II   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO CALCULATIONS; BULK CRYSTALS; FINE STRUCTURES; LOCAL ORDERING; ORDER PARAMETER; RAMAN SIGNAL; RAMAN SPECTRA; SPECTRAL RANGE; SUPER CELL; TRANSVERSE OPTICAL;

CALCULATIONS; CRYSTAL STRUCTURE; EPITAXIAL LAYERS; RAMAN SCATTERING; RAMAN SPECTROSCOPY; SOLVENTS; ZINC;

SEMICONDUCTING SELENIUM COMPOUNDS;

EID: 77949490281     PISSN: 14346028     EISSN: 14346036     Source Type: Journal    
DOI: 10.1140/epjb/e2010-00047-0     Document Type: Article

References (39)

1. J.C. Mikkelsen, J.B. Boyce, Phys. Rev. Lett. 49, 1412 (1982)
2. Not a pure VCA one though, strictly speaking, since there is not a single bond length per alloy whose value varies smoothly between the parent ones when the alloy composition changes
3. I.F. Chang, S.S. Mitra, Adv. Phys. 20, 359 (1971)
4. O. Pagès, A.V. Postnikov, M. Kassem, A. Chafi, A. Nassour, S. Doyen, Phys. Rev. B 77, 125208 (2008)
5. Pagès, J. Souhabi, A.V. Postnikov, A. Chafi Phys. Rev. B 80, 035204 (2009)
6. O. Pagès, M. Ajjoun, T. Tite, D. Bormann, E. Tournié, K.C. Rustagi, Phys. Rev. B 70, 155319 (2004)
7. O. Pagès, T. Tite, A. Chafi, D. Bormann, O. Maksimov, M.C. Tamargo, J. Appl. Phys. 99, 063507 (2006)
8. Note that consistently with the L-version of Figure [SEE TEXT], ab initio calculations by Bellaiche et al., Phys. Rev. B 54, 17568 (1996) have revealed a 'universal' singularity in the average bond length (L) of each species at the related bond percolation threshold (x~0.19, 0.81) of a random alloy. Also, careful examination of the basic 1-bond→1-mode (L) distribution of (first-neighbour) bond lengths calculated by ab initio methods with InGaP by Silverman et al., Phys. Rev. B 51, 10795 (1995) reveals a fine structure under the form of a systematic asymmetry (the same for the two bond species), whose sign changes on each side of the stoichiometry. Such asymmetry finds a natural explanation within the interplay between the two populations of like oscillators in each double branch of the percolation scheme shown in Figure [SEE TEXT]
9. This was discussed in detail in our reference 4, and independently validated by ab initio calculations by Silvermann et al., Phys. Rev. B 51, 10795 (1995), on InGaP
10. A. Mascarenhas, Spontaneous Ordering in Semiconductor Alloys, edited by Kluwer Academics (New York, 2002)
11. F. Alsina, N. Mestres, J. Pascual, C. Geng, P. Ernst, F. Scholz, Phys. Rev. B 53, 12994 (1996)
12. A. Hassine, J. Sapriel, P. Le Berre, M.A. Di Forte-Poisson, A. Alexandre, M. Quillec, Phys. Rev. B 54, 2728 (1996)
13. This should not be mistaken for some clustering though, as even in the limit of total ordering (η=1) each atom of a given species (say A) has one first-neighbour (out of four) of the other species (B, then)
14. 2 system
15. O. Pagès, A. Chafi, D. Fristot, A.V. Postnikov, Phys. Rev. B 73, 165206 (2006)
16. H.M. Cheong, F. Alsina, A. Mascarenhas, J.F. Geisz, J.M. Olson, Phys. Rev. B 56, 1888 (1997)
17. F. Alsina, J.D. Webb, A. Mascarenhas, J.F. Geisz, J.M. Olson, A. Duda, Phys. Rev. B 60, 1484 (1999)
18. J.Z. Liu, G. Trimarchi, A. Zunger, Phys. Rev. Lett. 99, 145501 (2007)
19. S. Froyen, A. Zunger, Phys. Rev. Lett. 66, 2132 (1991)
20. O. Pagès, T. Tite, D. Bormann, O. Maksimov, M.C. Tamargo, Appl. Phys. Lett. 80, 3081 (2002)
21. B. Freytag, P. Pavone, U. Rössler, K. Wolf, S. Lankes, G. Schötz, A. Naumov, S. Jilka, H. Stanzl, W. Gebhardt, Solid State Commun. 94, 103 (1995)
22. C. Chauvet, Ph.D thesis, Centre de Recherche sur l'Hété roépitaxie et ses Applications (CNRS), University of Nice Sophia-Antipolis, France, 2001
23. O. Pagès, M. Ajjoun, D. Bormann, C. Chauvet, E. Tournié, J.P. Faurie, O. Gorochov, J. Appl. Phys. 91, 9187 (2002)
24. R. Loudon, Adv. Phys. 13, 423 (1964)
25. P. Ordejón, E. Artacho, J.M. Soler, Phys. Rev. B 53, R10441 (1996)
26. J.M. Soler, E. Artacho, J.D. Gale, A. García, J. Junquera, P. Ordejón, D. Sánchez-Portal, J. Phys.: Condens. Matt. 14, 2745 (2002)
27. N. Troullier, J.L. Martins, Phys. Rev. B 43, 1993 (1991)
28. A.V. Postnikov, O. Pagès, J. Hugel, Phys. Rev. B 71, 115206 (2005)
29. B.V. Robouch, A. Kisiel, E.M. Sheregii, Phys. Rev. B 64, 073204 (2001)
30. A. Bukaluk, A.A. Wronkowska, A. Wronkowski, H. Arwin, F. Firszt, S. Łȩgowski, H. Mȩczyńska, J. Szatkowski, Appl. Surf. Sci. 175-176, 531 (2001)
31. C. Chauvet, E. Tournié, J.P. Faurie, Phys. Rev. B 61, 5332 (2000)
32. E. Tournié, C. Morhain, G. Neu, M. Laügt, C. Ongaretto, J.-P. Faurie, R. Triboulet, J.O. Ndap, J. Appl. Phys. 80, 2983 (1996)
33. M.-H. Tsai, F.C. Peiris, S. Lee, J.K. Furdyna, Phys. Rev. B 65, 235202 (2002)
34. Y. Zhang, A. Mascarenhas, L.-W. Wang, Phys. Rev. B 64, 125207 (2001)
35. A. Nassour, J. Hugel, A.V. Postnikov, J. Phys.: Conf. Ser. 92, 012139 (2007)
36. The barycentre is found over contributions of the same probed Se atom in the eigenvectors of many (strictly speaking, all) discrete vibration modes (96 in total in our supercell)
37. R.B. Capaz, B. Koiller, Phys. Rev. B 47, R4044 (1993)
38. A. Sher, M. Van Schilfgaarde, A.-B. Chen, W. Chen, Phys. Rev. B 36, 4279 (1987)
39. L.K. Teles, L.M.R. Scolfaro, J.R. Leite, J. Furthmüller, F. Bechstedt, J. Appl. Phys. 92, 7109 (2002)