Article (Scientific journals)
Re-entrant Peierls distortion in IV-VI compounds
Raty, Jean-Yves; Gaspard, Jean-Pierre; Bichara, C. et al.
2000In Physica B. Condensed Matter, 276-278, p. 473-474474
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Keywords :
Experimental/ band structure; chalcogenide glasses; crystal structure; IV-VI semiconductors; liquid structure; neutron diffraction; Peierls instability; van der Waals forces/ IV-VI compounds; local structure; morphology; re-entrant Peierls distortion; half-filled p-band; sixfold coordination; van der Waals forces; neutron diffraction experiments; chalcogenides; repulsive potential; 300 K; 0.7 angstroms; GeS; GeSe; GeTe; SnS; SnSe; SnTe/ A6185 Modelling and computer simulation of solid structure A6140D Structure of glasses A6160 Crystal structure of specific inorganic compounds A7125M Electronic structure of amorphous and glassy solids A7130 Metal-insulator transitions and other electronic transitions/ temperature 3.0E+02 K; wavelength 7.0E-11 m/ GeS/bin Ge /bin S/bin; GeSe/bin Ge /bin Se/bin; GeTe/bin Ge /bin Te/bin; SnS/bin Sn /bin S/bin; SnSe/bin Se /bin Sn/bin; SnTe/bin Sn /bin Te/bin
Abstract :
[en] At room temperature, the local structure of crystalline group V elements (As, Sb,middotmiddotmiddot) and their IV-VI isoelectronic compounds (GeSe,middotmiddotmiddot) is governed by a Peierls distortion of the simple cubic or NaCl structure which is a symmetry breaking electronic instability. The morphology of the distortion is determined by the filling ratio of the p-band; for a half-filled p-band, the sixfold coordination becomes 3 (short, covalent) +3 (long, van der Waals). In general, at high temperature, the structure recovers its higher coordination number. Neutron diffraction experiments have been made in the liquid state at lambda=0.7 Aring. It is observed that the Peierls distortion is still present in the liquid for most IV-VI compounds. This behavior is observed and discussed for a series of Sn and Ge chalcogenides: SnS, SnSe, GeS, GeSe and GeTe and their temperature evolution is discussed. GeSe and GeTe show an interesting re-entrant phase behavior. The heaviest IV-VI compound SnTe does not show a distorted state. We demonstrate that the hardness of the repulsive potential is a key parameter in this mechanism
Disciplines :
Physics
Chemistry
Author, co-author :
Raty, Jean-Yves  ;  Université de Liège - ULiège > Département de physique > Physique de la matière condensée
Gaspard, Jean-Pierre  ;  Université de Liège - ULiège > Département de physique > Département de physique
Bichara, C.
Bergman, C.
Bellissent, R.
Ceolin, R.
Language :
English
Title :
Re-entrant Peierls distortion in IV-VI compounds
Publication date :
2000
Journal title :
Physica B. Condensed Matter
ISSN :
0921-4526
Publisher :
Elsevier Science, Amsterdam, Netherlands
Volume :
276-278
Pages :
473-474474
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 25 January 2012

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