Valence-band electronic structure of CdO, ZnO, and MgO from x-ray photoemission spectroscopy and quasi-particle-corrected density-functional theory calculations

被引：376

作者：

King, P. D. C. ^{[1
]}

Veal, T. D. ^{[1
]}

Schleife, A. ^{[2
]}

Zuniga-Perez, J. ^{[3
]}

Martel, B. ^{[3
]}

Jefferson, P. H. ^{[1
]}

Fuchs, F. ^{[2
]}

Munoz-Sanjose, V. ^{[4
]}

Bechstedt, F. ^{[2
]}

McConville, C. F. ^{[1
]}

机构：

[1] Univ Warwick, Dept Phys, Coventry CV4 7AL, W Midlands, England

[2] Univ Jena, Inst Festkorpertheorie & Opt, D-07743 Jena, Germany

[3] CNRS, Ctr Rech Heteroepitaxie & Applicat, F-06560 Valbonne, France

[4] Univ Valencia, Dept Fis Aplicada & Electromagnetismo, E-46100 Burjassot, Spain

来源：

PHYSICAL REVIEW B | 2009年 / 79卷 / 20期

基金：

英国工程与自然科学研究理事会;

关键词：

binding energy; cadmium compounds; density functional theory; electronic density of states; II-VI semiconductors; magnesium compounds; valence bands; wide band gap semiconductors; X-ray photoelectron spectra; zinc compounds; OPTICAL-PROPERTIES; SPECTRA; SEMICONDUCTORS; EPITAXY; STATES;

D O I：

10.1103/PhysRevB.79.205205

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The valence-band density of states of single-crystalline rock-salt CdO(001), wurtzite c-plane ZnO, and rock- salt MgO(001) are investigated by high-resolution x-ray photoemission spectroscopy. A classic two-peak structure is observed in the VB-DOS due to the anion 2p-dominated valence bands. Good agreement is found between the experimental results and quasi-particle-corrected density-functional theory calculations. Occupied shallow semicore d levels are observed in CdO and ZnO. While these exhibit similar spectral features to the calculations, they occur at slightly higher binding energies, determined as 8.8 eV and 7.3 eV below the valence band maximum in CdO and ZnO, respectively. The implications of these on the electronic structure are discussed.

引用

页数：6

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