Phonon- and defect-limited electron and hole mobility of diamond and cubic boron nitride: A critical comparison

Sanders, Nocona; Kioupakis, Emmanouil

doi:10.1063/5.0056543

Title: Phonon- and defect-limited electron and hole mobility of diamond and cubic boron nitride: A critical comparison

Journal Article · Mon Aug 09 00:00:00 EDT 2021 · Applied Physics Letters

DOI:https://doi.org/10.1063/5.0056543· OSTI ID:1853465

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University of Michigan, Ann Arbor, MI (United States). Department of Materials Science and Engineering

Diamond and cBN are two of the most promising ultra-wide bandgap semiconductors for applications in high-power high-frequency electronic devices. Despite extensive studies on carrier transport in these materials, there are large discrepancies in their reported carrier mobilities. In this work, we investigate the phonon- and dopant-limited electron and hole mobilities of cBN and diamond with atomistic first-principles calculations in order to understand their fundamental upper bounds to carrier transport. Our results show that although the phonon-limited electron mobilities are comparable between cBN and diamond, the hole mobility is significantly lower in cBN due to its heavier hole effective mass. Moreover, although lattice scattering dominates the mobility at low doping, neutral impurity scattering becomes the dominant scattering mechanism at higher dopant concentrations due to the high dopant ionization energies. Our analysis provides critical insights and reveals the intrinsic upper limits to the carrier mobilities of diamond and cBN as a function of doping and temperature for applications in high-power electronic devices.

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Research Organization:: Univ. of Texas, Austin, TX (United States); Univ. of California, Oakland, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0020129; AC02-05CH11231

OSTI ID:: 1853465

Journal Information:: Applied Physics Letters, Vol. 119, Issue 6; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

References (59)

Transport Properties of a Many-Valley Semiconductor Herring, Conyers Bell System Technical Journal, Vol. 34, Issue 2 https://doi.org/10.1002/j.1538-7305.1955.tb01472.x	journal	March 1955
The raman spectrum of diamond Krishnan, R. S. Proceedings of the Indian Academy of Sciences - Section A, Vol. 19, Issue 5 https://doi.org/10.1007/BF03173448	journal	May 1944
Coulomb-hole summations and energies for $G W$ calculations with limited number of empty orbitals: A modified static remainder approach Deslippe, Jack; Samsonidze, Georgy; Jain, Manish Physical Review B, Vol. 87, Issue 16 https://doi.org/10.1103/PhysRevB.87.165124	journal	April 2013
Electrical properties of Be-implanted polycrystalline cubic boron nitride films He, B.; Zhang, W. J.; Zou, Y. S. Applied Physics Letters, Vol. 92, Issue 10 https://doi.org/10.1063/1.2896643	journal	March 2008
Intrinsic edge absorption in diamond Clark, C. D.; Dean, P. J.; Harris, P. V. Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences, Vol. 277, Issue 1370, p. 312-329 https://doi.org/10.1098/rspa.1964.0025	journal	February 1964
Electron effective masses and lattice scattering in natural diamond Nava, F.; Canali, C.; Jacoboni, C. Solid State Communications, Vol. 33, Issue 4 https://doi.org/10.1016/0038-1098(80)90447-0	journal	January 1980
Compensation in boron-doped CVD diamond Gabrysch, Markus; Majdi, Saman; Hallén, Anders physica status solidi (a), Vol. 205, Issue 9 https://doi.org/10.1002/pssa.200879711	journal	September 2008
Electron-Phonon Renormalization of the Direct Band Gap of Diamond Giustino, Feliciano; Louie, Steven G.; Cohen, Marvin L. Physical Review Letters, Vol. 105, Issue 26 https://doi.org/10.1103/PhysRevLett.105.265501	journal	December 2010
An updated version of wannier90: A tool for obtaining maximally-localised Wannier functions Mostofi, Arash A.; Yates, Jonathan R.; Pizzi, Giovanni Computer Physics Communications, Vol. 185, Issue 8 https://doi.org/10.1016/j.cpc.2014.05.003	journal	August 2014
Towards predictive many-body calculations of phonon-limited carrier mobilities in semiconductors Poncé, Samuel; Margine, Elena R.; Giustino, Feliciano Physical Review B, Vol. 97, Issue 12 https://doi.org/10.1103/PhysRevB.97.121201	journal	March 2018
Study on microstructure and semiconducting properties of doped c-BN-containing films Liao, K. J.; Wang, W. L.; Kong, C. Y. Surface and Coatings Technology, Vol. 141, Issue 2-3 https://doi.org/10.1016/S0257-8972(01)01231-2	journal	June 2001
Hall Mobility and Scattering Mechanism of Holes in Boron-Doped Homoepitaxial Chemical Vapor Deposition Diamond Thin Films Tsukioka, Kunio; Okushi, Hideyo Japanese Journal of Applied Physics, Vol. 45, Issue 11 https://doi.org/10.1143/JJAP.45.8571	journal	November 2006
BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures Deslippe, Jack; Samsonidze, Georgy; Strubbe, David A. Computer Physics Communications, Vol. 183, Issue 6 https://doi.org/10.1016/j.cpc.2011.12.006	journal	June 2012
QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502 https://doi.org/10.1088/0953-8984/21/39/395502	journal	September 2009
The diamond Irvin curve Werner, M.; Locher, R.; Kohly, W. Diamond and Related Materials, Vol. 6, Issue 2-4 https://doi.org/10.1016/S0925-9635(96)00683-8	journal	March 1997
Review of synthesis and properties of cubic boron nitride (c-BN) thin films Samantaray, C. B.; Singh, R. N. International Materials Reviews, Vol. 50, Issue 6 https://doi.org/10.1179/174328005X67160	journal	December 2005
VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data Momma, Koichi; Izumi, Fujio Journal of Applied Crystallography, Vol. 44, Issue 6 https://doi.org/10.1107/S0021889811038970	journal	October 2011
Ultrahigh thermal conductivity in isotope-enriched cubic boron nitride Chen, Ke; Song, Bai; Ravichandran, Navaneetha K. Science, Vol. 367, Issue 6477 https://doi.org/10.1126/science.aaz6149	journal	January 2020
High hole mobility in boron doped diamond for power device applications Volpe, Pierre-Nicolas; Pernot, Julien; Muret, Pierre Applied Physics Letters, Vol. 94, Issue 9 https://doi.org/10.1063/1.3086397	journal	March 2009
Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies Hybertsen, Mark S.; Louie, Steven G. Physical Review B, Vol. 34, Issue 8, p. 5390-5413 https://doi.org/10.1103/PhysRevB.34.5390	journal	October 1986
High-quality heterojunction between p -type diamond single-crystal film and n -type cubic boron nitride bulk single crystal Wang, Cheng-Xin; Yang, Guo-Wei; Zhang, Tie-Chen Applied Physics Letters, Vol. 83, Issue 23 https://doi.org/10.1063/1.1631059	journal	December 2003
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
First-Principles Theory of Quasiparticles: Calculation of Band Gaps in Semiconductors and Insulators Hybertsen, Mark S.; Louie, Steven G. Physical Review Letters, Vol. 55, Issue 13 https://doi.org/10.1103/PhysRevLett.55.1418	journal	September 1985
Determination of acoustic wave velocities and elastic properties for diamond and other hard materials Wang, Sea-Fue; Hsu, Yung-Fu; Pu, Jui-Chen Materials Chemistry and Physics, Vol. 85, Issue 2-3 https://doi.org/10.1016/j.matchemphys.2004.02.003	journal	June 2004
Fröhlich Electron-Phonon Vertex from First Principles Verdi, Carla; Giustino, Feliciano Physical Review Letters, Vol. 115, Issue 17 https://doi.org/10.1103/PhysRevLett.115.176401	journal	October 2015
Hall-coefficient factor and inverse valence-band parameters of holes in natural diamond Reggiani, Lino; Waechter, David; Zukotynski, Stefan Physical Review B, Vol. 28, Issue 6 https://doi.org/10.1103/PhysRevB.28.3550	journal	September 1983
The boron acceptor in diamond Thonke, Klaus Semiconductor Science and Technology, Vol. 18, Issue 3 https://doi.org/10.1088/0268-1242/18/3/303	journal	February 2003
Calculation of ground-state and optical properties of boron nitrides in the hexagonal, cubic, and wurtzite structures Xu, Yong-Nian; Ching, W. Y. Physical Review B, Vol. 44, Issue 15 https://doi.org/10.1103/PhysRevB.44.7787	journal	October 1991
High-Temperature Cubic Boron Nitride P-N Junction Diode Made at High Pressure Mishima, O.; Tanaka, J.; Yamaoka, S. Science, Vol. 238, Issue 4824 https://doi.org/10.1126/science.238.4824.181	journal	October 1987
Electronic properties of CVD diamond Nebel, C. E. Semiconductor Science and Technology, Vol. 18, Issue 3 https://doi.org/10.1088/0268-1242/18/3/301	journal	February 2003
Diamond transistor performance and fabrication Geis, M. W. Proceedings of the IEEE, Vol. 79, Issue 5 https://doi.org/10.1109/5.90131	journal	May 1991
Semiconducting cubic boron nitride Litvinov, Dmitri; Taylor, Charles A.; Clarke, Roy Diamond and Related Materials, Vol. 7, Issue 2-5 https://doi.org/10.1016/S0925-9635(97)00216-1	journal	February 1998
The electrical properties and device applications of homoepitaxial and polycrystalline diamond films Gildenblat, G. S.; Grot, S. A.; Badzian, A. Proceedings of the IEEE, Vol. 79, Issue 5 https://doi.org/10.1109/5.90130	journal	May 1991
Lightly phosphorus-doped homoepitaxial diamond films grown by chemical vapor deposition Katagiri, Masayuki; Isoya, Junichi; Koizumi, Satoshi Applied Physics Letters, Vol. 85, Issue 26 https://doi.org/10.1063/1.1840119	journal	December 2004
Hall hole mobility in boron-doped homoepitaxial diamond Pernot, J.; Volpe, P. N.; Omnès, F. Physical Review B, Vol. 81, Issue 20 https://doi.org/10.1103/PhysRevB.81.205203	journal	May 2010
Temperature dependent mobility in single‐crystal and chemical vapor‐deposited diamond Pan, L. S.; Kania, D. R.; Pianetta, P. Journal of Applied Physics, Vol. 73, Issue 6 https://doi.org/10.1063/1.353018	journal	March 1993
Dependence on volume of the phonon frequencies and the ir effective charges of several III-V semiconductors Sanjurjo, J. A.; López-Cruz, E.; Vogl, P. Physical Review B, Vol. 28, Issue 8 https://doi.org/10.1103/PhysRevB.28.4579	journal	October 1983
Ultraviolet and infrared spectra of cubic boron nitride Chrenko, R. M. Solid State Communications, Vol. 14, Issue 6 https://doi.org/10.1016/0038-1098(74)90978-8	journal	March 1974
Experimental and theoretical equation of state of cubic boron nitride Knittle, Elise; Wentzcovitch, Renata M.; Jeanloz, Raymond Nature, Vol. 337, Issue 6205 https://doi.org/10.1038/337349a0	journal	January 1989
Ultrawide-Bandgap Semiconductors: Research Opportunities and Challenges Tsao, J. Y.; Chowdhury, S.; Hollis, M. A. Advanced Electronic Materials, Vol. 4, Issue 1 https://doi.org/10.1002/aelm.201600501	journal	December 2017
Precise measurements of diamond lattice constant using Bond method Shikata, Shinich; Tanno, Takenori; Teraji, Tokuyuki Japanese Journal of Applied Physics, Vol. 57, Issue 11 https://doi.org/10.7567/JJAP.57.111301	journal	October 2018
Phonons and related crystal properties from density-functional perturbation theory Baroni, Stefano; de Gironcoli, Stefano; Dal Corso, Andrea Reviews of Modern Physics, Vol. 73, Issue 2 https://doi.org/10.1103/RevModPhys.73.515	journal	July 2001
Characterization of boron doped diamond epilayers grown in a NIRIM type reactor Mortet, V.; Daenen, M.; Teraji, T. Diamond and Related Materials, Vol. 17, Issue 7-10 https://doi.org/10.1016/j.diamond.2008.01.087	journal	July 2008
Drift and Conductivity Mobility in Silicon Ludwig, G. W.; Watters, R. L. Physical Review, Vol. 101, Issue 6 https://doi.org/10.1103/PhysRev.101.1699	journal	March 1956
Charge transport in high mobility single crystal diamond Nesladek, Miloš; Bogdan, Anna; Deferme, Wim Diamond and Related Materials, Vol. 17, Issue 7-10 https://doi.org/10.1016/j.diamond.2008.03.015	journal	July 2008
Ab initio pseudopotentials for electronic structure calculations of poly-atomic systems using density-functional theory Fuchs, Martin; Scheffler, Matthias Computer Physics Communications, Vol. 119, Issue 1 https://doi.org/10.1016/S0010-4655(98)00201-X	journal	June 1999
Hole-drift velocity in natural diamond Reggiani, L.; Bosi, S.; Canali, C. Physical Review B, Vol. 23, Issue 6 https://doi.org/10.1103/PhysRevB.23.3050	journal	March 1981
Carrier compensation in (001) n-type diamond by phosphorus doping Kato, Hiromitsu; Yamasaki, Satoshi; Okushi, Hideyo Diamond and Related Materials, Vol. 16, Issue 4-7 https://doi.org/10.1016/j.diamond.2006.11.085	journal	April 2007
Hall electron mobility in diamond Pernot, J.; Tavares, C.; Gheeraert, E. Applied Physics Letters, Vol. 89, Issue 12 https://doi.org/10.1063/1.2355454	journal	September 2006
Effects of magnesium doping on growth and electric conductivity of nanocrystalline cubic boron nitride thin films Kojima, K.; Nose, K.; Kambara, M. Journal of Physics D: Applied Physics, Vol. 42, Issue 5 https://doi.org/10.1088/0022-3727/42/5/055304	journal	February 2009
Ground State of the Electron Gas by a Stochastic Method Ceperley, D. M.; Alder, B. J. Physical Review Letters, Vol. 45, Issue 7, p. 566-569 https://doi.org/10.1103/PhysRevLett.45.566	journal	August 1980
EPW: Electron–phonon coupling, transport and superconducting properties using maximally localized Wannier functions Poncé, S.; Margine, E. R.; Verdi, C. Computer Physics Communications, Vol. 209 https://doi.org/10.1016/j.cpc.2016.07.028	journal	December 2016
Electron-phonon interaction using Wannier functions Giustino, Feliciano; Cohen, Marvin L.; Louie, Steven G. Physical Review B, Vol. 76, Issue 16 https://doi.org/10.1103/PhysRevB.76.165108	journal	October 2007
The dopant density and temperature dependence of electron mobility and resistivity in n-type silicon Li, Sheng S.; Thurber, W. Robert Solid-State Electronics, Vol. 20, Issue 7 https://doi.org/10.1016/0038-1101(77)90100-9	journal	July 1977
Electron mobility in phosphorous doped {111} homoepitaxial diamond Pernot, J.; Koizumi, S. Applied Physics Letters, Vol. 93, Issue 5 https://doi.org/10.1063/1.2969066	journal	August 2008
Thermal conductivity of isotopically modified single crystal diamond Wei, Lanhua; Kuo, P. K.; Thomas, R. L. Physical Review Letters, Vol. 70, Issue 24 https://doi.org/10.1103/PhysRevLett.70.3764	journal	June 1993
High carrier mobility in polycrystalline thin film diamond Looi, Hui Jin; Jackman, Richard B.; Foord, John S. Applied Physics Letters, Vol. 72, Issue 3 https://doi.org/10.1063/1.120734	journal	January 1998
High pressure synthesis of UV-light emitting cubic boron nitride single crystals Taniguchi, Takashi; Koizumi, Satoshi; Watanabe, Kenji Diamond and Related Materials, Vol. 12, Issue 3-7 https://doi.org/10.1016/S0925-9635(02)00330-8	journal	March 2003
Neutral Impurity Scattering in Semiconductors Erginsoy, Cavid Physical Review, Vol. 79, Issue 6 https://doi.org/10.1103/PhysRev.79.1013	journal	September 1950

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72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS
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Phonons
Diamond
Lattice scattering
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Electronic band structure

Title: Phonon- and defect-limited electron and hole mobility of diamond and cubic boron nitride: A critical comparison

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References (59)

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