[11a-Z29-1~15] 17.3 Layered materials

[11a-Z29-2] Theoretical Study on Raman Active Modes of SnS Thin Films

〇(M2)Itsuki Yonemori¹, Sudipta Dutta², Kosuke Nagashio³, Katsunori Wakabayashi¹ (1.Kwansei Gakuin Univ., 2.IISERs, 3.Tokyo Univ.)

Keywords:Tin Sulfide, First-principles calculaiton, Raman mode

Tin sulfide (SnS), a layered material with an asymmetric in-plane crystal structure, can maintain in-plane ferroelectricity even with extremely thin structures. It has been reported that SnS has two bulk phases with different stacking structures in the process of crystal growth and has layer-number dependent ferroelectricity. Thus, theoretical analysis of the internal crystal structure is required to develop the ultrathin ferroelectric devices. In our study, the crystal structure dependence of the vibration mode for bulk, single- and multi-layered SnS has been obtained by first-principles calculation.