skip to main content

DOE PAGESDOE PAGES

Title: Stabilization of orthorhombic phase in single-crystal ZnSnN 2 films

Here, we report on the crystal structure of epitaxial ZnSnN 2 films synthesized via plasma-assisted vapor deposition on (111) yttria stabilized zirconia (YSZ) and (001) lithium gallate (LiGaO 2) substrates. X-ray diffraction measurements performed on ZnSnN 2 films deposited on LiGaO 2 substrates show evidence of single-crystal, phase-pure orthorhombic structure in the Pn2 1a symmetry [space group (33)], with lattice parameters in good agreement with theoretically predicted values. This Pn2 1a symmetry is imposed on the ZnSnN 2 films by the LiGaO 2 substrate, which also has orthorhombic symmetry. A structural change from the wurtzite phase to the orthorhombic phase in films grown at high substrate temperatures ~550°C and low values of nitrogen flux ~10 –5 Torr is observed in ZnSnN 2 films deposited on YSZ characterized by lattice contraction in the basal plane and a 5.7% expansion of the out-of-plane lattice parameter.
Authors:
ORCiD logo [1] ;  [2] ;  [3] ;  [4] ;  [1] ; ORCiD logo [1] ;  [1] ; ORCiD logo [1] ;  [1] ;  [3]
  1. Univ. of Michigan, Ann Arbor, MI (United States)
  2. Univ. at Buffalo, Buffalo, NY (United States); Institut Jean Lamour (Univ. of Lorraine) (France)
  3. Western Michigan Univ., Kalamazoo MI (United States)
  4. Univ. of Michigan, Ann Arbor, MI (United States); Univ. of California, Los Angeles, CA (United States)
Publication Date:
Grant/Contract Number:
AC02-05CH11231; AC02-06CH11357; FG02-94ER14466
Type:
Published Article
Journal Name:
AIP Advances
Additional Journal Information:
Journal Volume: 6; Journal Issue: 7; Journal ID: ISSN 2158-3226
Publisher:
American Institute of Physics (AIP)
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
Sponsoring Org:
National Science Foundation (NSF); USDOE
Country of Publication:
United States
Language:
ENGLISH
Subject:
36 MATERIALS SCIENCE
OSTI Identifier:
1272652
Alternate Identifier(s):
OSTI ID: 1306610; OSTI ID: 1421199

Senabulya, Nancy, Feldberg, Nathaniel, Makin, Robert. A., Yang, Yongsoo, Shi, Guangsha, Jones, Christina M., Kioupakis, Emmanouil, Mathis, James, Clarke, Roy, and Durbin, Steven M.. Stabilization of orthorhombic phase in single-crystal ZnSnN2 films. United States: N. p., Web. doi:10.1063/1.4960109.
Senabulya, Nancy, Feldberg, Nathaniel, Makin, Robert. A., Yang, Yongsoo, Shi, Guangsha, Jones, Christina M., Kioupakis, Emmanouil, Mathis, James, Clarke, Roy, & Durbin, Steven M.. Stabilization of orthorhombic phase in single-crystal ZnSnN2 films. United States. doi:10.1063/1.4960109.
Senabulya, Nancy, Feldberg, Nathaniel, Makin, Robert. A., Yang, Yongsoo, Shi, Guangsha, Jones, Christina M., Kioupakis, Emmanouil, Mathis, James, Clarke, Roy, and Durbin, Steven M.. 2016. "Stabilization of orthorhombic phase in single-crystal ZnSnN2 films". United States. doi:10.1063/1.4960109.
@article{osti_1272652,
title = {Stabilization of orthorhombic phase in single-crystal ZnSnN2 films},
author = {Senabulya, Nancy and Feldberg, Nathaniel and Makin, Robert. A. and Yang, Yongsoo and Shi, Guangsha and Jones, Christina M. and Kioupakis, Emmanouil and Mathis, James and Clarke, Roy and Durbin, Steven M.},
abstractNote = {Here, we report on the crystal structure of epitaxial ZnSnN2 films synthesized via plasma-assisted vapor deposition on (111) yttria stabilized zirconia (YSZ) and (001) lithium gallate (LiGaO2) substrates. X-ray diffraction measurements performed on ZnSnN2 films deposited on LiGaO2 substrates show evidence of single-crystal, phase-pure orthorhombic structure in the Pn21a symmetry [space group (33)], with lattice parameters in good agreement with theoretically predicted values. This Pn21a symmetry is imposed on the ZnSnN2 films by the LiGaO2 substrate, which also has orthorhombic symmetry. A structural change from the wurtzite phase to the orthorhombic phase in films grown at high substrate temperatures ~550°C and low values of nitrogen flux ~10–5 Torr is observed in ZnSnN2 films deposited on YSZ characterized by lattice contraction in the basal plane and a 5.7% expansion of the out-of-plane lattice parameter.},
doi = {10.1063/1.4960109},
journal = {AIP Advances},
number = 7,
volume = 6,
place = {United States},
year = {2016},
month = {9}
}

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996
  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Limiting efficiency of silicon solar cells
journal, May 1984
  • Tiedje, T.; Yablonovitch, E.; Cody, G.D.
  • IEEE Transactions on Electron Devices, Vol. 31, Issue 5, p. 711-716
  • DOI: 10.1109/T-ED.1984.21594

Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells
journal, March 1961
  • Shockley, William; Queisser, Hans J.
  • Journal of Applied Physics, Vol. 32, Issue 3, p. 510-519
  • DOI: 10.1063/1.1736034

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999