Novel Pressure Induced Structural Phase Transition in AgSbTe$_{2}$

Details Novel Pressure Induced Structural Phase Transition in AgSbTe$_{2}$ Novel Pressure Induced Structural Phase Transition in AgSbTe$_{2}$

2004-12-14

arxiv.org/abs/cond-mat/0412347v1

Physics

Condensed Matter

Materials Science

4 pages, 3 figures

Scientific paper

10.1103/PhysRevB.72.060101

We report a novel high pressure structural sequence for the functionally graded thermoelectric, narrow band gap semiconductor AgSbTe$_{2}$, using angle dispersive x-ray diffraction in a diamond anvil cell with synchrotron radiation at room temperature. The compound undergoes a B1 to B2 transition; the transition proceeds through an intermediate amorphous phase found between 17-26 GPa that is quenchable down to ambient conditions. The pressure induced structural transition observed in this compound is the first of its type reported in this ternary cubic family, and it is new for the B1-B2 transition pathway reported to date. Density Functional Theory (DFT) calculations performed for the B1 and B2 phases are in good agreement with the experimental results.

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