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研究動態
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keywords: ab initio calculations, conduction bands, electrical conductivity, energy gap, Fermi level, Hall effect, lead compounds, semiconductor materials, X-ray absorption spectra, X-ray photoelectron spectra |
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Gapless Band Structure of PbPdO2: A Combined First Principles Calculation and Experimental Study |
2011/7/20 |
We present experimental evidence of the gapless band structure of PbPdO2 by combined x-ray photoemission and x-ray absorption spectra complemented with first principles band structure calculations. The electronic structure near the Fermi level of PbPdO2 is mainly composed of O 2p and Pd 4d bands, constructing the conduction path along the Pd-O layer in PbPdO2. Pd deficiency in PbPdO2 causes decreased O 2p-Pd 4d and increased O 2p-Pb 6p hybridizations, thereby inducing a small band gap and hence reducing conductivity. Hall measurements indicate that PbPdO2 is a p-type gapless semiconductor with intrinsic hole carriers transporting in the Pd-O layers. The research was conducted at the NSRRC beamline 20A1.
S. W. Chen, S. C. Huang, G. Y. Guo, J. M. Lee, S. Chiang, W. C. Chen, Y. C. Liang, K. T. Lu, and J. M. Chen |
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Appl. Phys. Lett. 99 , 012103 (2011) |
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