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

来源：

APPLIED PHYSICS LETTERS | 2011年 / 99卷 / 01期

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

页数：3

共 24 条

[11] AB-INITIO MOLECULAR-DYNAMICS FOR OPEN-SHELL TRANSITION-METALS [J].