Gapless band structure of PbPdO2: A combined first principles calculation and experimental study

被引:33
作者
Chen, S. W. [2 ]
Huang, S. C. [1 ]
Guo, G. Y. [1 ,3 ]
Lee, J. M. [2 ]
Chiang, S. [4 ]
Chen, W. C. [5 ]
Liang, Y. C. [2 ]
Lu, K. T. [2 ]
Chen, J. M. [2 ]
机构
[1] Natl Taiwan Univ, Dept Phys, Taipei 10617, Taiwan
[2] Natl Synchrotron Radiat Res Ctr, Hsinchu 30076, Taiwan
[3] Natl Chengchi Univ, Grad Inst Appl Phys, Taipei 11605, Taiwan
[4] Rensselaer Polytech Inst, Dept Chem Engn, Troy, NY 12180 USA
[5] Natl Appl Res Labs, Instrument Technol Res Ctr, Hsinchu 30076, Taiwan
关键词
LAYERED PALLADIUM OXIDE; ULTRATHIN ZRO2 FILMS; ZERO-GAP HG1-XMNXSE; MAGNETIC SEMICONDUCTOR; TRANSITION; STABILITY; GROWTH; METALS;
D O I
10.1063/1.3607293
中图分类号
O59 [应用物理学];
学科分类号
摘要
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. (C) 2011 American Institute of Physics. [doi:10.1063/1.3607293]
引用
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页数:3
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