Boron–oxygen complex yields n-type surface layer in semiconducting diamond

Liu, Xiaobing; Chen, Xin; Singh, David J.; Stern, Richard A.; Wu, Jinsong; Petitgirard, Sylvain; Bina, Craig R.; Jacobsen, Steven D.

doi:10.1073/pnas.1821612116

Title: Boron–oxygen complex yields n-type surface layer in semiconducting diamond

Journal Article · Mon Apr 01 00:00:00 EDT 2019 · Proceedings of the National Academy of Sciences of the United States of America

DOI:https://doi.org/10.1073/pnas.1821612116· OSTI ID:1599893

^[1]; Chen, Xin ^[1]; Singh, David J. ^[2]; Stern, Richard A. ^[3]; Wu, Jinsong ^[4]; Petitgirard, Sylvain ^[5]; Bina, Craig R. ^[4];

^[4]

Qufu Normal Univ., Shandong (China); Northwestern Univ., Evanston, IL (United States)
Univ. of Missouri, Columbia, MO (United States)
Univ. of Alberta, Edmonton, AB (Canada)
Northwestern Univ., Evanston, IL (United States)
Univ. of Bayreuth (Germany)

Diamond is a wide-bandgap semiconductor possessing exceptional physical and chemical properties with the potential to miniaturize high-power electronics. Whereas boron-doped diamond (BDD) is a well-known p-type semiconductor, fabrication of practical diamond-based electronic devices awaits development of an effective n-type dopant with satisfactory electrical properties. Here we report the synthesis of n-type diamond, containing boron (B) and oxygen (O) complex defects. We obtain high carrier concentration (~0.778 × 10²¹cm^-3) several orders of magnitude greater than previously obtained with sulfur or phosphorous, accompanied by high electrical conductivity. In high-pressure high-temperature (HPHT) boron-doped diamond single crystal we formed a boron-rich layer ~1–1.5 μm thick in the {111} surface containing up to 1.4 atomic % B. We show that under certain HPHT conditions the boron dopants combine with oxygen defects to form B–O complexes that can be tuned by controlling the experimental parameters for diamond crystallization, thus giving rise to n-type conduction. First-principles calculations indicate that B₃O and B₄O complexes with low formation energies exhibit shallow donor levels, elucidating the mechanism of the n-type semiconducting behavior.

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Research Organization:: George Washington Univ., Washington, DC (United States); Univ. of Missouri, Columbia, MO (United States); Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP); USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: NA0003858; SC0019114; AC02-06CH11357

OSTI ID:: 1599893

Journal Information:: Proceedings of the National Academy of Sciences of the United States of America, Vol. 116, Issue 16; ISSN 0027-8424

Publisher:: National Academy of SciencesCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 43 works

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References (39)

Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
On the substitutional nitrogen donor in diamond Farrer, R. G. Solid State Communications, Vol. 7, Issue 9 https://doi.org/10.1016/0038-1098(69)90593-6	journal	May 1969
Growth and characterization of phosphorous doped {111} homoepitaxial diamond thin films Koizumi, S.; Kamo, M.; Sato, Y. Applied Physics Letters, Vol. 71, Issue 8 https://doi.org/10.1063/1.119729	journal	August 1997
N-type control of single-crystal diamond films by ultra-lightly phosphorus doping Kato, Hiromitsu; Ogura, Masahiko; Makino, Toshiharu Applied Physics Letters, Vol. 109, Issue 14 https://doi.org/10.1063/1.4964382	journal	October 2016
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set Kresse, G.; Furthmüller, J. Computational Materials Science, Vol. 6, Issue 1, p. 15-50 https://doi.org/10.1016/0927-0256(96)00008-0	journal	July 1996
Thermodynamic and experimental conditions for the fabrication of a boron carbide layer on high-modulus carbon fiber surfaces by RCVD Vincent, H.; Vincent, C.; Scharff, J. P. Carbon, Vol. 30, Issue 3 https://doi.org/10.1016/0008-6223(92)90049-3	journal	January 1992
Shallow donors with high n-type electrical conductivity in homoepitaxial deuterated boron-doped diamond layers Teukam, Zéphirin; Chevallier, Jacques; Saguy, Cécile Nature Materials, Vol. 2, Issue 7 https://doi.org/10.1038/nmat929	journal	June 2003
Sulfur: A potential donor in diamond Saada, D.; Adler, Joan; Kalish, R. Applied Physics Letters, Vol. 77, Issue 6 https://doi.org/10.1063/1.1306914	journal	August 2000
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Ultraviolet Emission from a Diamond pn Junction Koizumi, S. Science, Vol. 292, Issue 5523 https://doi.org/10.1126/science.1060258	journal	June 2001
Visible-Light-Responsive β-Rhombohedral Boron Photocatalysts Liu, Gang; Yin, Li-Chang; Niu, Ping Angewandte Chemie International Edition, Vol. 52, Issue 24 https://doi.org/10.1002/anie.201302238	journal	April 2013
Inhomogeneous Electron Gas Hohenberg, P.; Kohn, W. Physical Review, Vol. 136, Issue 3B, p. B864-B871 https://doi.org/10.1103/PhysRev.136.B864	journal	November 1964
High Carrier Mobility in Single-Crystal Plasma-Deposited Diamond Isberg, Jan; Hammersberg, Johan; Johansson, Erik Science, Vol. 297, Issue 5587, p. 1670-1672 https://doi.org/10.1126/science.1074374	journal	September 2002
Atomic layers of hybridized boron nitride and graphene domains Ci, Lijie; Song, Li; Jin, Chuanhong Nature Materials, Vol. 9, Issue 5, p. 430-435 https://doi.org/10.1038/nmat2711	journal	February 2010
Electrons dance in diamond Nebel, Christoph E. Nature Materials, Vol. 12, Issue 8 https://doi.org/10.1038/nmat3724	journal	July 2013
Limitations to n ‐type doping in diamond: The phosphorus‐vacancy complex Jones, R.; Lowther, J. E.; Goss, J. Applied Physics Letters, Vol. 69, Issue 17 https://doi.org/10.1063/1.117715	journal	October 1996
Inhomogeneous Electron Gas Rajagopal, A. K.; Callaway, J. Physical Review B, Vol. 7, Issue 5 https://doi.org/10.1103/physrevb.7.1912	journal	March 1973
High thermoelectric performance due to nano-inclusions and randomly distributed interface potentials in N-type (PbTe _0.93−x Se _0.07 Cl _x ) _0.93 (PbS) _0.07 composites Ginting, Dianta; Lin, Chan-Chieh; Rathnam, Lydia Journal of Materials Chemistry A, Vol. 5, Issue 26 https://doi.org/10.1039/C7TA02643A	journal	January 2017
High-resolution X-ray luminescence extension imaging Ou, Xiangyu; Qin, Xian; Huang, Bolong Nature, Vol. 590, Issue 7846 https://doi.org/10.1038/s41586-021-03251-6	journal	February 2021
Superconductivity in diamond Sidorov, V. A.; Ekimov, E. A. Diamond and Related Materials, Vol. 19, Issue 5-6 https://doi.org/10.1016/j.diamond.2009.12.002	journal	May 2010
High temperature application of diamond power device Umezawa, Hitoshi; Nagase, Masanori; Kato, Yukako Diamond and Related Materials, Vol. 24 https://doi.org/10.1016/j.diamond.2012.01.011	journal	April 2012
Shallow Donors in Diamond: Chalcogens, Pnictogens, and their Hydrogen Complexes Sque, S. J.; Jones, R.; Goss, J. P. Physical Review Letters, Vol. 92, Issue 1 https://doi.org/10.1103/PhysRevLett.92.017402	journal	January 2004
Synthesis and characterization of boron-doped carbons Cermignani, William; Paulson, Thomas E.; Onneby, Carina Carbon, Vol. 33, Issue 4, p. 367-374 https://doi.org/10.1016/0008-6223(94)00160-2	journal	January 1995
Visible-Light-Responsive β-Rhombohedral Boron Photocatalysts Liu, Gang; Yin, Li-Chang; Niu, Ping Angewandte Chemie, Vol. 125, Issue 24 https://doi.org/10.1002/ange.201302238	journal	April 2013
Microwave-Assisted Surface Synthesis of a Boron-Carbon-Nitrogen Foam and its Desorption Enthalpy Paul, Rajib; Voevodin, Andrey A.; Zemlyanov, Dimitry Advanced Functional Materials, Vol. 22, Issue 17 https://doi.org/10.1002/adfm.201200325	journal	May 2012
MATERIALS SCIENCE: The New Diamond Age? May, P. W. Science, Vol. 319, Issue 5869 https://doi.org/10.1126/science.1154949	journal	March 2008
Measurement of the substitutional nitrogen activation energy in diamond films Li, B. B.; Tosin, M. C.; Peterlevitz, A. C. Applied Physics Letters, Vol. 73, Issue 6 https://doi.org/10.1063/1.122010	journal	August 1998
Sulfonated Graphene for Persistent Aromatic Pollutant Management Zhao, Guixia; Jiang, Lang; He, Yudong Advanced Materials, Vol. 23, Issue 34 https://doi.org/10.1002/adma.201101007	journal	July 2011
Nitrogen- and oxygen-containing activated carbon nanotubes with improved capacitive properties Zhou, Zhenfang; Zhang, Zhonghua; Peng, Hongrui RSC Advances, Vol. 4, Issue 11 https://doi.org/10.1039/c3ra45076g	journal	January 2014
Is sulfur a donor in diamond? Kalish, R.; Reznik, A.; Uzan-Saguy, C. Applied Physics Letters, Vol. 76, Issue 6 https://doi.org/10.1063/1.125885	journal	February 2000
Ultrahard stitching of nanotwinned diamond and cubic boron nitride in C2-BN composite Liu, Xiaobing; Chen, Xin; Ma, Hong-An Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep30518	journal	July 2016
Self-Consistent Equations Including Exchange and Correlation Effects Kohn, W.; Sham, L. J. Physical Review, Vol. 140, Issue 4A, p. A1133-A1138 https://doi.org/10.1103/PhysRev.140.A1133	journal	November 1965
Sulfur: A donor dopant for n -type diamond semiconductors Sakaguchi, Isao; N. -Gamo, Mikka; Kikuchi, Yuko Physical Review B, Vol. 60, Issue 4 https://doi.org/10.1103/PhysRevB.60.R2139	journal	July 1999
Generation, transport and detection of valley-polarized electrons in diamond Isberg, Jan; Gabrysch, Markus; Hammersberg, Johan Nature Materials, Vol. 12, Issue 8 https://doi.org/10.1038/nmat3694	journal	July 2013
Theory of boron aggregates in diamond: First-principles calculations Goss, J. P.; Briddon, P. R. Physical Review B, Vol. 73, Issue 8 https://doi.org/10.1103/physrevb.73.085204	journal	February 2006
Nitrogen and potential n -type dopants in diamond Kajihara, S. A.; Antonelli, A.; Bernholc, J. Physical Review Letters, Vol. 66, Issue 15 https://doi.org/10.1103/physrevlett.66.2010	journal	April 1991
Role of native defects in wide-band-gap semiconductors Laks, D. B.; Van de Walle, C. G.; Neumark, G. F. Physical Review Letters, Vol. 66, Issue 5 https://doi.org/10.1103/physrevlett.66.648	journal	February 1991
Negative Electron Affinity and Low Work Function Surface: Cesium on Oxygenated Diamond (100) Pickett, Warren E. Physical Review Letters, Vol. 73, Issue 12 https://doi.org/10.1103/physrevlett.73.1664	journal	September 1994
Shallow Donor State Due to Nitrogen-Hydrogen Complex in Diamond Miyazaki, Takehide; Okushi, Hideyo; Uda, Tsuyoshi Physical Review Letters, Vol. 88, Issue 6 https://doi.org/10.1103/physrevlett.88.066402	journal	January 2002

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Enhanced strength of nano-polycrystalline diamond by introducing boron carbide interlayers at the grain boundaries Zhao, Bo; Zhang, Shengya; Duan, Shuai Nanoscale Advances, Vol. 2, Issue 2 https://doi.org/10.1039/c9na00699k	journal	January 2020
Ultrahigh Thermoelectric Performance Realized in Black Phosphorus System by Favorable Band Engineering through Group VA Doping Duan, Shuai; Cui, Yangfan; Chen, Xin Advanced Functional Materials, Vol. 29, Issue 38 https://doi.org/10.1002/adfm.201904346	journal	July 2019
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Title: Boron–oxygen complex yields n-type surface layer in semiconducting diamond

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