Reference : Re-entrant Peierls distortion in IV-VI compounds
Scientific journals : Article
Physical, chemical, mathematical & earth Sciences : Physics
Physical, chemical, mathematical & earth Sciences : Chemistry
Re-entrant Peierls distortion in IV-VI compounds
Raty, Jean-Yves mailto [Université de Liège - ULiège > Département de physique > Physique de la matière condensée]
Gaspard, Jean-Pierre mailto [Université de Liège - ULiège > Département de physique > Département de physique]
Bichara, C. [> > > >]
Bergman, C. [> > > >]
Bellissent, R. [> > > >]
Ceolin, R. [> > > >]
Physica B: Condensed Matter
Elsevier Science
Yes (verified by ORBi)
[en] 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
[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
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