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cond-mat.mtrl-sci2011★ 137 cited
Infrared Reflectance Spectrum of BN Calculated from First Principles
Yongqing Cai, Litong Zhang, Qingfeng Zeng +2
Using the linear response theory, the vibrational and dielectric properties are calculated for c-BN, w-BN and h-BN. Calculations of the zone-center optical-mode frequencies (includ…
cond-mat.mtrl-sci2011★ 42 cited
First-principles study of vibrational and dielectric properties of β-Si3N4
Yongqing Cai, Qingfeng Zeng, Litong Zhang +2
First-principles calculations have been conducted to study the structural, vibrational and dielectric properties of β-Si3N4. Calculations of the zone-center optical-mode frequencie…