Old puzzle of incommensurate crystal structure of calaverite AuTe${}_2$ and predicted stability of novel AuTe compound

Sergey V. Streltsov, Valerii V. Roizen, Alexey V. Ushakov +2

It is shown that the long-standing puzzle of incommensurate crystal structure of AuTe${}_2$ can be solved, if this material is considered as a negative charge-transfer system. Using…