Pressure induced Ag2Te polymorphs in conjunction with topological non trivial to metal transition

J. Zhu, A. R. Oganov, W. X. Feng, Y. G. Yao, S. J. Zhang, X. H. Yu, J. L. Zhu, R. C. Yu, C. Q. Jin, X. Dai, Z. Fang, Y. S. Zhao

Результат исследований: Вклад в журналСтатьярецензирование

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Аннотация

Silver telluride (Ag2Te) is well known as superionic conductor and topological insulator with polymorphs. Pressure induced three phase transitions in Ag2Te have been reported in previous. Here, we experimentally identified high pressure phase above 13 GPa of Ag2Te by using high pressure synchrotron x ray diffraction method in combination with evolutionary crystal structure prediction, showing it crystallizes into a monoclinic structure of space group C2/m with lattice parameters a = 6.081Å, b = 5.744Å, c = 6.797 Å, β = 105.53°. The electronic properties measurements of Ag2Te reveal that the topologically non-trivial semiconducting phase I and semimetallic phase II previously predicated by theory transformed into bulk metals for high pressure phases in consistent with the first principles calculations.

Язык оригиналаАнглийский
Номер статьи085003
ЖурналAIP Advances
Том6
Номер выпуска8
DOI
СостояниеОпубликовано - 1 авг. 2016
Опубликовано для внешнего пользованияДа

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