Secondary phase Cu2SnSe3 vs. kesterite Cu2ZnSnSe4: similarities and differences in lattice vibration modes

N. B. Mortazavi Amiri, A. V. Postnikov

The crystal structure of monoclinic semiconductor Cu2SnSe3 is optimized, in a first-principles LDA calculation by Siesta method, to be found in good agreement with available experi…