Joint experiment and theory to study the band structure of SrZrO3 in orthorhombic phase

作者: Chunhong Tang , Xiaomei Lu , Fengzhen Huang , Mengqiu Cai , Xin Wu

DOI: 10.1016/J.SSC.2009.08.041

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摘要: Abstract Dense and flat SrZrO3 films in an orthorhombic (Pbnm) perovskite phase are fabricated on fused quartz substrates via the metal organic decomposition method. Optical measurements show that average transmittance of is about 90% for light with a wavelength longer than 240 nm, absorption edge shifts to wavelengths increase annealing temperature film thickness. Meanwhile, first-principles calculations performed by using accurate Vienna ab initio simulation package explore electronic band structure SrZrO3. The observed shift could be well explained size effect structure.

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