Dual-donor codoping approach to realize low-resistance n-type ZnS semiconductor

Li, D F; Deng, Bo; Xue, Shuwen; Wang, Zhiguo; Gao, Fei

doi:10.1063/1.3624531

Title: Dual-donor codoping approach to realize low-resistance n-type ZnS semiconductor

Full Record
Other Related Research

Abstract

Based on first-principles calculations, we explored a good candidate for achieving low-resistance and high carrier concentration of n-type ZnS by a dual-donor codoping method, where the ionization energy was effectively reduced. We found that the SnZn-FS pair has a shallow donor level of 17.2 meV, a small formation energy of 1.27 eV and a high binding energy of 1.28 eV. The density of states analysis showed that the SnZn-FS pair induces the downward shift of the conduction band minimum by about 0.15 eV, while the basis electronic structure does not change. Thus, the SnZn-FS pair is likely to be a best n-type dopant for ZnS.

Authors:: Li, D F; Deng, Bo; Xue, Shuwen; Wang, Zhiguo; Gao, Fei

Publication Date:: Mon Aug 01 00:00:00 EDT 2011

Research Org.:: Pacific Northwest National Lab. (PNNL), Richland, WA (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1025661

Report Number(s):: PNNL-SA-81436
Journal ID: ISSN 0003-6951; APPLAB; KC0201020; TRN: US201120%%672

DOE Contract Number:: AC05-76RL01830

Resource Type:: Journal Article

Journal Name:: Applied Physics Letters, 99(5):Art. No. 052109

Additional Journal Information:: Journal Volume: 99; Journal Issue: 5; Journal ID: ISSN 0003-6951

Country of Publication:: United States

Language:: English

Subject:: 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; BINDING ENERGY; ELECTRONIC STRUCTURE; IONIZATION; Dual-donor codoping; ZnS semiconductor; Ab initio calculations

Citation Formats


                    Li, D F, Deng, Bo, Xue, Shuwen, Wang, Zhiguo, and Gao, Fei. Dual-donor codoping approach to realize low-resistance n-type ZnS semiconductor.  United States: N. p., 2011. 
        Web.  doi:10.1063/1.3624531.

Copy to clipboard


                    Li, D F, Deng, Bo, Xue, Shuwen, Wang, Zhiguo, & Gao, Fei. Dual-donor codoping approach to realize low-resistance n-type ZnS semiconductor.  United States.  https://doi.org/10.1063/1.3624531

Copy to clipboard


                    Li, D F, Deng, Bo, Xue, Shuwen, Wang, Zhiguo, and Gao, Fei. 2011.  
        "Dual-donor codoping approach to realize low-resistance n-type ZnS semiconductor".  United States.  https://doi.org/10.1063/1.3624531.

Copy to clipboard


                    
@article{osti_1025661,

  title        = {Dual-donor codoping approach to realize low-resistance n-type ZnS semiconductor},

  author       = {Li, D F and Deng, Bo and Xue, Shuwen and Wang, Zhiguo and Gao, Fei},

  abstractNote = {Based on first-principles calculations, we explored a good candidate for achieving low-resistance and high carrier concentration of n-type ZnS by a dual-donor codoping method, where the ionization energy was effectively reduced. We found that the SnZn-FS pair has a shallow donor level of 17.2 meV, a small formation energy of 1.27 eV and a high binding energy of 1.28 eV. The density of states analysis showed that the SnZn-FS pair induces the downward shift of the conduction band minimum by about 0.15 eV, while the basis electronic structure does not change. Thus, the SnZn-FS pair is likely to be a best n-type dopant for ZnS.},

  doi          = {10.1063/1.3624531},

  url          = {https://www.osti.gov/biblio/1025661},
  journal      = {Applied Physics Letters, 99(5):Art. No. 052109},

  issn         = {0003-6951},

  number       = 5,

  volume       = 99,

  place        = {United States},

  year         = {Mon Aug 01 00:00:00 EDT 2011},

  month        = {Mon Aug 01 00:00:00 EDT 2011}

}

Copy to clipboard

Journal Article:

https://doi.org/10.1063/1.3624531

Other availability

Find in Google Scholar

Search WorldCat to find libraries that may hold this journal

Save / Share:

Export Metadata

Save to My Library

Similar records in OSTI.GOV collections:

Ab-initio study of donor-acceptor codoping for n-type CuO

Journal Article Peng, Yuan; Wang, Junling; Zheng, Jianwei; ... - Journal of Applied Physics

Single n-type dopant in CuO has either a deep donor level or limited solubility, inefficient in generating free electrons. We have performed ab-initio study of the donor-acceptor codoping to obtain n-type CuO. Our results show that N codoping can slightly improve the donor level of Zr and In by forming shallower n-type complexes (Zr{sub Cu}-N{sub O} and 2In{sub Cu}-N{sub O}), but their formation energies are too high to be realized in experiments. However, Li codoping with Al and Ga is found to be relatively easy to achieve. 2Al{sub Cu}-Li{sub Cu} and 2Ga{sub Cu}-Li{sub Cu} have shallower donor levels than singlemore »« less
https://doi.org/10.1063/1.4900495
Point defects and dopants of boron arsenide from first-principles calculations: Donor compensation and doping asymmetry

Journal Article Chae, S.; Mengle, K.; Heron, J.; ... - Applied Physics Letters

We apply hybrid density functional theory calculations to identify the formation energies and thermodynamic charge transition levels of native point defects, common impurities, and shallow dopants in B_As. We find that As_B antisites, boron-related defects such as V_B, B_As, and B_i-V_B complexes, and antisite pairs are the dominant intrinsic defects. Native B_As is expected to exhibit p-type conduction due to the acceptor-type characteristics of V_B and BAs. Among the common impurities we explored, we found that C substitutional defects and H interstitials have relatively low formation energies and are likely to contribute free holes. Interstitial hydrogen is surprisingly also foundmore »« less
Cited by 28
https://doi.org/10.1063/1.5062267

Full Text Available
Tunable Photoluminescent Core/Shell Cu(+)-Doped ZnSe/ZnS Quantum Dots Codoped with Al(3+), Ga(3+), or In(3+).

Journal Article Cooper, Jason; Gul, Sheraz; Lindley, Sarah; ... - ACS Applied Materials and Interfaces

Semiconductor quantum dots (QDs) with stable, oxidation resistant, and tunable photoluminescence (PL) are highly desired for various applications including solid-state lighting and biological labeling. However, many current systems for visible light emission involve the use of toxic Cd. Here, we report the synthesis and characterization of a series of codoped core/shell ZnSe/ZnS QDs with tunable PL maxima spanning 430-570 nm (average full width at half-maximum of 80 nm) and broad emission extending to 700 nm, through the use of Cu(+) as the primary dopant and trivalent cations (Al(3+), Ga(3+), and In(3+)) as codopants. Furthermore, we developed a unique thiol-based bidentatemore »« less
https://doi.org/10.1021/acsami.5b02860
Aluminum-nitride codoped zinc oxide films prepared using a radio-frequency magnetron cosputtering system

Journal Article Liu, D; Sheu, C; Lee, C - Journal of Applied Physics

Al-N codoped zinc oxide films were prepared using a radio-frequency magnetron cosputtering system at room temperature. AlN and ZnO materials were employed as the cosputtered targets. The as-deposited cosputtered films at various theoretical atomic ratios [Al/(Al+Zn) at. %] showed n-type conductive behavior in spite of the N atoms exceeding that of the Al dopants, indicating that the N-related acceptors were still inactive. The crystalline structure was obviously correlated with the cosputtered AlN contents and eventually evolved into an amorphous structure for the Al-N codoped ZnO film at a theoretical Al doping level reaching 60%. With an adequate postannealing treatment, themore »« less
https://doi.org/10.1063/1.2768010
Optical investigations of Be doped ZnO films grown by molecular beam epitaxy

Journal Article Chen, Mingming; Zhu, Yuan; Chen, Anqi; ... - Materials Research Bulletin

Highlights: • The optical properties of Be doped ZnO films were investigated. • Low temperature photoluminescence spectrum was dominated by D°X and DAP emissions. • Shallow acceptor state with ionization energy of 116 meV was found in ZnO:Be films. • It is suggested that the incorporated Be atom might favor formation of Zn vacancies defects. • This work demonstrates that N doping BeZnO might be suitable for fabricating reliable p-type ZnO materials. - Abstract: In this article, the optical properties of ZnO:Be films grown by plasma-assisted molecular beam epitaxy were investigated by the excitation density-dependent and temperature-dependent photoluminescence measurements. Themore »« less
https://doi.org/10.1016/J.MATERRESBULL.2016.02.012

Similar Records