Interplay between External Strain and Oxygen Vacancies on Raman Spectra of SnO2
LI Ting-Hui1**, LI Hai-Tao2, PAN Jiang-Hong1
1College of Physical and Technology, Guangxi Normal University, Guilin 541004 2Department of Physics, Hebei Normal University for Nationalities, Chengde 067000
Abstract：Comprehensive first-principle calculations on strained SnO2 crystal structure indicate that the formation energy of different types of oxygen vacancies depends on the external strain. Many novel Raman modes can be observed, their intensities and positions are strongly dependent on applied stain, which can be ascribed to crystal symmetry destruction by oxygen vacancies. Applied strain can compress/stretch distances between Sn and O atoms; therefore, Sn–O band vibration frequencies can be adjusted accordingly. Our calculated results disclose that the Raman spectra of SnO2 crystal structure with different types of oxygen vacancies are obviously different, which can be used to identify the oxygen vacancy types in strained SnO2 crystal structures.
. [J]. 中国物理快报, 2014, 31(07): 76201-076201.
LI Ting-Hui, LI Hai-Tao, PAN Jiang-Hong. Interplay between External Strain and Oxygen Vacancies on Raman Spectra of SnO2. Chin. Phys. Lett., 2014, 31(07): 76201-076201.
2014, Vol. 31 
