Lattice and electronic structure of ScN observed by angle-resolved photoemission spectroscopy measurements

Al-Atabi, Hayder A.; Zhang, Xiaotian; He, Shanmei; chen, Cheng; Chen, Yulin; Rotenberg, Eli; Edgar, James H.

doi:10.1063/5.0119628

Title: Lattice and electronic structure of ScN observed by angle-resolved photoemission spectroscopy measurements

Journal Article · Wed Nov 02 00:00:00 EDT 2022 · Applied Physics Letters

DOI:https://doi.org/10.1063/5.0119628· OSTI ID:2299531

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^[2]; He, Shanmei ^[3];

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University of Technology, Baghdad (Iraq)
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS); Shanghai Jiao Tong University (China)
University of Oxford (United Kingdom)
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States). Advanced Light Source (ALS)
Kansas State University, Manhattan, KS (United States)

Scandium nitride (ScN) has recently attracted much attention for its potential applications in thermoelectric energy conversion, as a semiconductor in epitaxial metal/semiconductor superlattices, as a substrate for GaN growth, and alloying it with AlN for 5G technology. This study was undertaken to better understand its stoichiometry and electronic structure. ScN (100) single crystals 2 mm thick were grown on a single crystal tungsten (100) substrate by a physical vapor transport method over a temperature range of 1900–2000 °C and a pressure of 20 Torr. The core level spectra of Sc 2p_3/2,1/2 and N 1s were obtained by x-ray photoelectron spectroscopy (XPS). The XPS core levels were shifted by 1.1 eV toward higher values as the [Sc]:[N] ratio varied from 1.4 at 1900 °C to ~1.0 at 2000 °C due to the higher binding energies in stoichiometric ScN. Angle-resolved photoemission spectroscopy measurements confirmed that ScN has an indirect bandgap of ~1.2 eV.

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Research Organization:: Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Laboratory Directed Research and Development (LDRD) Program; National Science Foundation (NSF)

Grant/Contract Number:: AC02-05CH11231; DMR-1508172

OSTI ID:: 2299531

Alternate ID(s):: OSTI ID: 1896821

Journal Information:: Applied Physics Letters, Vol. 121, Issue 18; ISSN 0003-6951

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

Country of Publication:: United States

Language:: English

References (34)

Electronic structure, phonons, and thermal properties of ScN, ZrN, and HfN: A first-principles study Saha, Bivas; Acharya, Jagaran; Sands, Timothy D. Journal of Applied Physics, Vol. 107, Issue 3 https://doi.org/10.1063/1.3291117	journal	February 2010
Exact-exchange-based quasiparticle energy calculations for the band gap, effective masses, and deformation potentials of ScN Qteish, Abdallah; Rinke, Patrick; Scheffler, Matthias Physical Review B, Vol. 74, Issue 24 https://doi.org/10.1103/PhysRevB.74.245208	journal	December 2006
Electronic and optical properties of ScN and (Sc,Mn)N thin films deposited by reactive DC-magnetron sputtering Saha, Bivas; Naik, Gururaj; Drachev, Vladimir P. Journal of Applied Physics, Vol. 114, Issue 6 https://doi.org/10.1063/1.4817715	journal	August 2013
Electronic structure and optical spectra of the semimetal ScAs and of the indirect-band-gap semiconductors ScN and GdN Lambrecht, Walter R. L. Physical Review B, Vol. 62, Issue 20 https://doi.org/10.1103/PhysRevB.62.13538	journal	November 2000
Dislocation reduction in gallium nitride films using scandium nitride interlayers Moram, M. A.; Zhang, Y.; Kappers, M. J. Applied Physics Letters, Vol. 91, Issue 15 https://doi.org/10.1063/1.2794009	journal	October 2007
Thermal conductivity of (Zr,W)N/ScN metal/semiconductor multilayers and superlattices Rawat, Vijay; Koh, Yee Kan; Cahill, David G. Journal of Applied Physics, Vol. 105, Issue 2 https://doi.org/10.1063/1.3065092	journal	January 2009
Thermally stable epitaxial ZrN/carrier-compensated Sc0.99Mg0.01N metal/semiconductor multilayers for thermionic energy conversion Garbrecht, Magnus; McCarroll, Ingrid; Yang, Limei Journal of Materials Science, Vol. 55, Issue 4 https://doi.org/10.1007/s10853-019-04127-x	journal	October 2019
Anomalously high thermoelectric power factor in epitaxial ScN thin films Kerdsongpanya, Sit; Van Nong, Ngo; Pryds, Nini Applied Physics Letters, Vol. 99, Issue 23 https://doi.org/10.1063/1.3665945	journal	December 2011
Recent Developments in Semiconductor Thermoelectric Physics and Materials Shakouri, Ali Annual Review of Materials Research, Vol. 41, Issue 1 https://doi.org/10.1146/annurev-matsci-062910-100445	journal	August 2011
Phase stability of ScN-based solid solutions for thermoelectric applications from first-principles calculations Kerdsongpanya, Sit; Alling, Björn; Eklund, Per Journal of Applied Physics, Vol. 114, Issue 7 https://doi.org/10.1063/1.4818415	journal	August 2013
Aluminum scandium nitride-based metal–ferroelectric–metal diode memory devices with high on/off ratios Liu, Xiwen; Zheng, Jeffrey; Wang, Dixiong Applied Physics Letters, Vol. 118, Issue 20 https://doi.org/10.1063/5.0051940	journal	May 2021
Post-CMOS Compatible Aluminum Scandium Nitride/2D Channel Ferroelectric Field-Effect-Transistor Memory Liu, Xiwen; Wang, Dixiong; Kim, Kwan-Ho Nano Letters, Vol. 21, Issue 9 https://doi.org/10.1021/acs.nanolett.0c05051	journal	April 2021
Fabrication of a 3.5-GHz Solidly Mounted Resonator by Using an AlScN Piezoelectric Thin Film Chung, Chan-Yu; Chen, Ying-Chung; Chen, Yu-Cheng Coatings, Vol. 11, Issue 10 https://doi.org/10.3390/coatings11101151	journal	September 2021
Epitaxial growth and properties of semiconducting ScN Dismukes, J. P.; Yim, W. M.; Ban, V. S. Journal of Crystal Growth, Vol. 13-14 https://doi.org/10.1016/0022-0248(72)90185-6	journal	May 1972
Molecular beam epitaxy control of the structural, optical, and electronic properties of ScN(001) Smith, Arthur R.; AL-Brithen, Hamad A. H.; Ingram, David C. Journal of Applied Physics, Vol. 90, Issue 4 https://doi.org/10.1063/1.1388161	journal	August 2001
Microstructure and electronic properties of the refractory semiconductor ScN grown on MgO(001) by ultra-high-vacuum reactive magnetron sputter deposition Gall, D.; Petrov, I.; Madsen, L. D. Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 16, Issue 4 https://doi.org/10.1116/1.581360	journal	July 1998
Bulk (100) scandium nitride crystal growth by sublimation on tungsten single crystal seeds Al-Atabi, Hayder A.; Khan, Neelam; Nour, Edil Applied Physics Letters, Vol. 113, Issue 12 https://doi.org/10.1063/1.5051457	journal	September 2018
Properties of bulk scandium nitride crystals grown by physical vapor transport Al-Atabi, Hayder; Zheng, Qiye; Cetnar, John S. Applied Physics Letters, Vol. 116, Issue 13 https://doi.org/10.1063/1.5141808	journal	March 2020
Electronic structure of ScN determined using optical spectroscopy, photoemission, and ab initio calculations Gall, D.; Städele, M.; Järrendahl, K. Physical Review B, Vol. 63, Issue 12 https://doi.org/10.1103/PhysRevB.63.125119	journal	March 2001
Effect of impurities on morphology, growth mode, and thermoelectric properties of (1 1 1) and (0 0 1) epitaxial-like ScN films le Febvrier, Arnaud; Tureson, Nina; Stilkerich, Nina Journal of Physics D: Applied Physics, Vol. 52, Issue 3 https://doi.org/10.1088/1361-6463/aaeb1b	journal	November 2018
Young’s modulus, Poisson’s ratio, and residual stress and strain in (111)-oriented scandium nitride thin films on silicon Moram, M. A.; Barber, Z. H.; Humphreys, C. J. Journal of Applied Physics, Vol. 100, Issue 2 https://doi.org/10.1063/1.2217106	journal	July 2006
Electronic structure and properties of d - and f -shell-metal compounds Harrison, Walter A.; Straub, Galen K. Physical Review B, Vol. 36, Issue 5 https://doi.org/10.1103/PhysRevB.36.2695	journal	August 1987
Surface and bulk electronic structure of $ScN (001)$ investigated by scanning tunneling microscopy/spectroscopy and optical absorption spectroscopy Al-Brithen, Hamad A.; Smith, Arthur R.; Gall, Daniel Physical Review B, Vol. 70, Issue 4 https://doi.org/10.1103/PhysRevB.70.045303	journal	July 2004
Optical and transport measurement and first-principles determination of the ScN band gap Deng, Ruopeng; Ozsdolay, B. D.; Zheng, P. Y. Physical Review B, Vol. 91, Issue 4 https://doi.org/10.1103/PhysRevB.91.045104	journal	January 2015
Cathodoluminescence and x-ray photoelectron spectroscopy of ScN: Dopant, defects, and band structure Haseman, Micah S.; Noesges, Brenton A.; Shields, Seth APL Materials, Vol. 8, Issue 8 https://doi.org/10.1063/5.0019533	journal	August 2020
Electrical properties of scandium nitride epitaxial films grown on (100) magnesium oxide substrates by molecular beam epitaxy Ohgaki, Takeshi; Watanabe, Ken; Adachi, Yutaka Journal of Applied Physics, Vol. 114, Issue 9 https://doi.org/10.1063/1.4820391	journal	September 2013
Correlation between crystallization and oxidation process of ScN films exposed to air More-Chevalier, J.; Cichoň, S.; Horák, L. Applied Surface Science, Vol. 515 https://doi.org/10.1016/j.apsusc.2020.145968	journal	June 2020
Electrical and optical properties of scandium nitride nanolayers on MgO (100) substrate More-Chevalier, Joris; Cichoň, Stanislav; Bulíř, Jiří AIP Advances, Vol. 9, Issue 1 https://doi.org/10.1063/1.5056245	journal	January 2019
Stoichiometric ScN and nitrogen deficient scandium nitride layers studied by photoelectron spectroscopy Porte, L. Journal of Physics C: Solid State Physics, Vol. 18, Issue 36 https://doi.org/10.1088/0022-3719/18/36/024	journal	December 1985
A cooling fin to enhance the efficiency of crystal growth by physical vapor transport Al-Atabi, Hayder A.; Cheikh, Mohamad I.; Hosni, M. H. Materials Science and Engineering: B, Vol. 251 https://doi.org/10.1016/j.mseb.2019.114443	journal	December 2019
Crystal growth and properties of scandium nitride Gu, Zheng; Edgar, J. H.; Pomeroy, J. Journal of Materials Science: Materials in Electronics, Vol. 15, Issue 8 https://doi.org/10.1023/B:JMSE.0000032591.54107.2c	journal	August 2004
Sublimation growth of titanium nitride crystals Du, Li; Edgar, J. H.; Kenik, Edward A. Journal of Materials Science: Materials in Electronics, Vol. 21, Issue 1 https://doi.org/10.1007/s10854-009-9873-8	journal	March 2009
Sublimation Growth and Characterization of Erbium Nitride Crystals Al Atabi, Hayder A.; Al Auda, Zahraa F.; Padavala, B. Crystal Growth & Design, Vol. 18, Issue 7 https://doi.org/10.1021/acs.cgd.7b01543	journal	June 2018
Gas source molecular beam epitaxy of scandium nitride on silicon carbide and gallium nitride surfaces King, Sean W.; Davis, Robert F.; Nemanich, Robert J. Journal of Vacuum Science & Technology A: Vacuum, Surfaces, and Films, Vol. 32, Issue 6 https://doi.org/10.1116/1.4894816	journal	November 2014

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electronic structure
electronic band structure
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angle-resolved photoemission spectroscopy
physical vapor deposition
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Title: Lattice and electronic structure of ScN observed by angle-resolved photoemission spectroscopy measurements

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