High pressure structural stability of the Na-Te system
The ab initio evolutionary algorithm is used to search for all thermodynamically stable Na-Te compounds at extreme pressure.In our calculations, SAM-E 400MG several new structures are discovered at high pressure, namely, Imma Na2Te, Pmmm NaTe, Imma Na8Te2 and P4/mmm NaTe3.Like the known structures of Na2Te (Fm-3m, Pnma and P63/mmc), the Pmmm NaTe,