The DOI matches its Crossref record; 14 of the 14 references it cites were found in a registry or an index.
Origins of thep-type nature and cation deficiency inCu2Oand related materials
Abstract
While most of crystalline wide gap oxides are both stoichiometric and insulating, a handful of them including ZnO and ${\mathrm{In}}_{2}{\mathrm{O}}_{3}$ are naturally anion-deficient and electron conductors. Even fewer of the oxides are naturally cation-deficient and hole conductors, the arch-type of which is ${\mathrm{Cu}}_{2}\mathrm{O}$. Based on first principles calculation of equilibrium nonstoichiometry and defect stability, we explain why the ${\mathrm{Cu}}^{(I)}({d}^{10})$ oxide-based materials are both $p$-type and naturally cation-deficient, and why cation vacancies lead to delocalized, conductive states, whereas in other oxides (e.g., ZnO and MgO), they lead to localized, nonconductive states.
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Cites
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
Kresse, G., & Furthmüller, J. (1996) · Physical Review B · doi:10.1103/physrevb.54.11169 · Cited by 123,652
From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
Structural Inorganic Chemistry
(1971) · Nature · doi:10.1038/229453c0 · Cited by 5,766
P-type electrical conduction in transparent thin films of CuAlO2
Kawazoe, H., Yasukawa, M., Hyodo, H., Kurita, M., Yanagi, H., & Hosono, H. (1997) · Nature · doi:10.1038/40087 · Cited by 2,132
Electronic structure ofCu2O and CuO
Ghijsen, J., Tjeng, L. H., van Elp, J., Eskes, H., Westerink, J., Sawatzky, G. A., & Czyzyk, M. T. (1988) · Physical Review B · doi:10.1103/physrevb.38.11322 · Cited by 1,644
Structural Inorganic Chemistry.
Wells, A. F., & O'Brien, T. D. (1946) · The Journal of Physical Chemistry · doi:10.1021/j150449a009 · Cited by 1,500
Dopability, Intrinsic Conductivity, and Nonstoichiometry of Transparent Conducting Oxides
Lany, S., & Zunger, A. (2007) · Physical Review Letters · doi:10.1103/physrevlett.98.045501 · Cited by 640
Self-citationDirect observation of d-orbital holes and Cu–Cu bonding in Cu2O
Zuo, J., Kim, M., O’Keeffe, M., & Spence, J. C. H. (1999) · Nature · doi:10.1038/43403 · Cited by 480
n-type doping ofCuInSe2andCuGaSe2
Persson, C., Zhao, Y.-J., Lany, S., & Zunger, A. (2005) · Physical Review B · doi:10.1103/physrevb.72.035211 · Cited by 475
Self-citationZunger, A. (2003) · Applied Physics Letters · doi:10.1063/1.1584074 · Cited by 427
Self-citationSrCu 2 O 2 : A p -type conductive oxide with wide band gap
Kudo, A., Yanagi, H., Hosono, H., & Kawazoe, H. (1998) · Applied Physics Letters · doi:10.1063/1.121761 · Cited by 406
Defects in Cu2O studied by deep level transient spectroscopy
Paul, G., Nawa, Y., Sato, H., Sakurai, T., & Akimoto, K. (2006) · Applied Physics Letters · doi:10.1063/1.2175492 · Cited by 106
First-principles study of transparent p -type conductive SrCu 2 O 2 and related compounds
Nie, X., Wei, S., & Zhang, S. (2002) · Physical review. B, Condensed matter · doi:10.1103/physrevb.65.075111 · Cited by 96
Deep energy levels and photoelectrical properties of thin cuprous oxide films
Rakhshani, A. E., Makdisi, Y., & Mathew, X. (1996) · Thin Solid Films · doi:10.1016/s0040-6090(96)08795-0 · Cited by 35
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Oxide Semiconductor Thin‐Film Transistors: A Review of Recent Advances
Fortunato, E., Barquinha, P., & Martins, R. (2012) · Advanced Materials · doi:10.1002/adma.201103228 · Cited by 3,197
Lany, S., & Zunger, A. (2008) · Physical Review B · doi:10.1103/physrevb.78.235104 · Cited by 1,257
Self-citationIdentification and design principles of low hole effective mass p-type transparent conducting oxides
Hautier, G., Miglio, A., Ceder, G., Rignanese, G.-M., & Gonze, X. (2013) · Nature Communications · doi:10.1038/ncomms3292 · Cited by 640
Greiner, M. T., & Lu, Z.-H. (2013) · NPG Asia Materials · doi:10.1038/am.2013.29 · Cited by 444
Atomistic details of oxide surfaces and surface oxidation: the example of copper and its oxides
Gattinoni, C., & Michaelides, A. (2015) · Surface Science Reports · doi:10.1016/j.surfrep.2015.07.001 · Cited by 356
Metadata
- Authors
- Raebiger, H., Lany, S., & Zunger, A.
- Venue
- Physical Review B
- Publisher
- American Physical Society (APS)
- Published
- 2007-07-16
- Volume
- 76
- Issue
- 4
- ISSN
- 1098-0121 (ISSN-L)
- 1550-235X
- OpenAlex
- W2020504721
- Cited by
- 542
- References
- 14
- FWCI
- 8.59
- Type
- journal article
- Language
- en
- Open access
- closed
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