Second-order phase transition in a SnS orthorhombic crystal under pressure

The existence of a second-order phase transition in a SnS crystal with an orthorhombic lattice has been demonstrated theoretically. The calculation has been performed in the framework of the density functional theory in the plane-wave basis with the ABINIT software package. It has been found that th...

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Bibliographic Details
Published in:Physics of the solid state 2015-02, Vol.57 (2), p.378-380
Main Authors: Gashimzade, F. M., Guseinova, D. A., Jahangirli, Z. A., Mekhtiev, B. G.
Format: Article
Language:English
Subjects:
Lattice Dynamics
Physics
Physics and Astronomy
Solid State Physics
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Summary:The existence of a second-order phase transition in a SnS crystal with an orthorhombic lattice has been demonstrated theoretically. The calculation has been performed in the framework of the density functional theory in the plane-wave basis with the ABINIT software package. It has been found that there is an abrupt change in the bulk modulus of the crystal under hydrostatic pressure near the pressure P = 16 GPa. A continuous variation in the volume of the crystal with increasing pressure indicates the occurrence of a second-order phase transition. It has been shown that this phase transition is associated with the softening of the frequency of the low-frequency totally symmetric interlayer mode. The phase transition is a displacive-type transition, during which the symmetry of the crystal changes from simple orthorhombic to base-centered orthorhombic ( P cmn ( D 2 h 16 )→ C mcm ( D 2 h 17 )).
ISSN:1063-7834
1090-6460
DOI:10.1134/S1063783415020110