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Indian Journal of Pure & Applied Physics (IJPAP) >
IJPAP Vol.43 [2005] >
IJPAP Vol.43(12) [December 2005] >
| Title: | High pressure phase transformation and elastic behaviour of ZnX semiconducting compound |
| Authors: | Varshney, Dinesh
Kinge, R
Sharma, P
Kaurav, N
Singh, R K |
| Keywords: | Phase transition
Elastic constants
Thermodynamical properties
Interionic interaction potential |
| Issue Date: | Dec-2005 |
| Publisher: | CSIR |
| IPC Code: | H01L |
| Abstract: | An effective interionic
interaction potential to investigate the pressure induced phase transitions
from zinc blende (B3) to rock salt (B1) structure and anharmonic properties
in ZnX [X = Se, S, Te] semiconductors
has been presented. The elastic constants, including the long range Coulomb,
Van der Waals (vdW) interaction and the short-range repulsive interaction of up to
second-neighbour ions within the Hafemeister and Flugare approach, are derived
as a first step. Both of the ions are polarizable, therefore the
Slater-Kirkwood variational method is employed to estimate the vdW
coefficients. It is inferred that vdW interaction is effective in obtaining
the thermodynamical parameters such as the Debye temperature, Gruneisen
parameter, thermal expansion coefficient and the compressibility. The major
volume discontinuity in the pressure-volume phase diagram representing the
structural phase transition from zinc blende to rock salt structure, is
consistent as those revealed from earlier reports. We find that short-range vdW
attraction, long-range Coulomb repulsion, and short-range overlap repulsion in
ZnX will contribute effectively to the mechanical properties and show similar
results as those revealed from experiments. |
| Page(s): | 939-951 |
| ISSN: | 0975-1041 (Online); 0019-5596 (Print) |
| Source: | IJPAP Vol.43(12) [December 2005]
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