Role of hydrogen on the ZnO(0001̄)-(1x1) surface

Chamberlin, S. E.; Hirschmugl, C. J.; King, S. T.; Poon, H. C.; Saldin, D. K.

doi:10.1103/PhysRevB.84.075437

Title: Role of hydrogen on the ZnO(0001̄)-(1x1) surface

Journal Article · 07 August 2011 · Physical Review. B, Condensed Matter and Materials Physics

DOI: https://doi.org/10.1103/PhysRevB.84.075437 · OSTI ID:1100493

Chamberlin, S. E.; Hirschmugl, C. J.; King, S. T.; Poon, H. C.; Saldin, D. K.

Not Available

View Accepted Manuscript (Publisher)

Cite

Export

Save

Sponsoring Organization:: USDOE

OSTI ID:: 1100493

Alternate ID(s):: OSTI ID: 1060410

Journal Information:: Physical Review. B, Condensed Matter and Materials Physics, Journal Name: Physical Review. B, Condensed Matter and Materials Physics Journal Issue: 7 Vol. 84; ISSN 1098-0121; ISSN PRBMDO

Publisher:: American Physical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

References (28)

From ultrasoft pseudopotentials to the projector augmented-wave method Kresse, G.; Joubert, D. Physical Review B, Vol. 59, Issue 3, p. 1758-1775 https://doi.org/10.1103/PhysRevB.59.1758	journal	January 1999
Ab initiomolecular dynamics for liquid metals Kresse, G.; Hafner, J. Physical Review B, Vol. 47, Issue 1, p. 558-561 https://doi.org/10.1103/PhysRevB.47.558	journal	January 1993
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
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
Polarity control of GaN grown on ZnO (0001¯) surfaces Kobayashi, Atsushi; Kawaguchi, Yuji; Ohta, Jitsuo Applied Physics Letters, Vol. 88, Issue 18 https://doi.org/10.1063/1.2200157	journal	May 2006
Reliability factors for LEED calculations Pendry, J. B. Journal of Physics C: Solid State Physics, Vol. 13, Issue 5 https://doi.org/10.1088/0022-3719/13/5/024	journal	February 1980
Stability of the polar surfaces of ZnO: A reinvestigation using He-atom scattering Kunat, M.; Gil Girol, St.; Becker, Th. Physical Review B, Vol. 66, Issue 8 https://doi.org/10.1103/PhysRevB.66.081402	journal	August 2002
A comprehensive review of ZnO materials and devices Özgür, Ü.; Alivov, Ya. I.; Liu, C. Journal of Applied Physics, Vol. 98, Issue 4 https://doi.org/10.1063/1.1992666	journal	August 2005
Novel Stabilization Mechanism on Polar Surfaces: ZnO(0001)-Zn Dulub, Olga; Diebold, Ulrike; Kresse, G. Physical Review Letters, Vol. 90, Issue 1 https://doi.org/10.1103/PhysRevLett.90.016102	journal	January 2003
STM study of the geometric and electronic structure of ZnO()-Zn, ()-O, (), and () surfaces Dulub, Olga; Boatner, Lynn A.; Diebold, Ulrike Surface Science, Vol. 519, Issue 3 https://doi.org/10.1016/S0039-6028(02)02211-2	journal	November 2002
Low energy electron diffraction using an electronic delay-line detector Human, D.; Hu, X. F.; Hirschmugl, C. J. Review of Scientific Instruments, Vol. 77, Issue 2 https://doi.org/10.1063/1.2170078	journal	February 2006
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Polar oxide surfaces Noguera, Claudine Journal of Physics: Condensed Matter, Vol. 12, Issue 31 https://doi.org/10.1088/0953-8984/12/31/201	journal	July 2000
Stability of Polar Oxide Surfaces Wander, A.; Schedin, F.; Steadman, P. Physical Review Letters, Vol. 86, Issue 17 https://doi.org/10.1103/PhysRevLett.86.3811	journal	April 2001
Density-functional study of the structure and stability of ZnO surfaces Meyer, B.; Marx, Dominik Physical Review B, Vol. 67, Issue 3 https://doi.org/10.1103/PhysRevB.67.035403	journal	January 2003
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
Ion scattering study of the Zn and oxygen-terminated basal plane surfaces of ZnO Overbury, S. H.; Radulovic, P. V.; Thevuthasan, S. Surface Science, Vol. 410, Issue 1 https://doi.org/10.1016/S0039-6028(98)00307-0	journal	July 1998
Structure of the hydrogen-stabilized MgO ( 111 ) − ( 1 × 1 ) polar surface: Integrated experimental and theoretical studies Lazarov, V. K.; Plass, R.; Poon, H-C. Physical Review B, Vol. 71, Issue 11 https://doi.org/10.1103/PhysRevB.71.115434	journal	March 2005
Observation of a (√3×√3)R30° reconstruction on O-polar ZnO surfaces King, S. T.; Parihar, S. S.; Pradhan, K. Surface Science, Vol. 602, Issue 22 https://doi.org/10.1016/j.susc.2008.09.025	journal	November 2008
Copper growth on the O-terminated ZnO ( 0001 ¯ ) surface: Structure and morphology Jedrecy, N.; Gallini, S.; Sauvage-Simkin, M. Physical Review B, Vol. 64, Issue 8 https://doi.org/10.1103/PhysRevB.64.085424	journal	August 2001
The stability of ionic crystal surfaces Tasker, P. W. Journal of Physics C: Solid State Physics, Vol. 12, Issue 22 https://doi.org/10.1088/0022-3719/12/22/036	journal	November 1979
Calculations of low-energy electron diffraction intensities from the polar faces of ZnO Duke, C. B.; Lubinsky, A. R. Surface Science, Vol. 50, Issue 2 https://doi.org/10.1016/0039-6028(75)90049-7	journal	June 1975
Explanation of the 6-fold LEED patterns from polar (0001) and (000) ZnO surfaces Henrich, Victor E.; Zeiger, H. J.; Solomon, E. I. Surface Science, Vol. 74, Issue 3 https://doi.org/10.1016/0039-6028(78)90024-9	journal	June 1978
First-principles study of the polar O-terminated ZnO surface in thermodynamic equilibrium with oxygen and hydrogen Meyer, B. Physical Review B, Vol. 69, Issue 4 https://doi.org/10.1103/PhysRevB.69.045416	journal	January 2004
Angle-resolved photoemission from polar and nonpolar zinc oxide surfaces Göpel, W.; Pollmann, J.; Ivanov, I. Physical Review B, Vol. 26, Issue 6 https://doi.org/10.1103/PhysRevB.26.3144	journal	September 1982
Generalized Gradient Approximation Made Simple [Phys. Rev. Lett. 77, 3865 (1996)] Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 78, Issue 7 https://doi.org/10.1103/PhysRevLett.78.1396	journal	February 1997
Norm-conserving and ultrasoft pseudopotentials for first-row and transition elements Kresse, G.; Hafner, J. Journal of Physics: Condensed Matter, Vol. 6, Issue 40 https://doi.org/10.1088/0953-8984/6/40/015	journal	October 1994
Geometric structure of (011)(21) surface by low energy electron diffraction (LEED) Chamberlin, S. E.; Hirschmugl, C. J.; Poon, H. C. Surface Science, Vol. 603, Issue 23 https://doi.org/10.1016/j.susc.2009.09.029	journal	December 2009

Similar Records

Theoretical study of syngas hydrogenation to methanol on the polar Zn-terminated ZnO(0001) surface

Journal Article · 2012 · Journal of Physical Chemistry C, 116(30):15952-15961 · OSTI ID:1047994

Zhao, Ya-Fan; Rousseau, Roger J.; Li, Jun; +1 more

Quantum chemical study of ZnO, Cu/ZnO, Cu/sub 2/O, and CuO clusters and CO chemisorption on ZnO(0001), CuZnO(0001), and Cu/ZnO(0001) surfaces

Journal Article · 1987 · J. Phys. Chem.; (United States) · OSTI ID:5355250

Rodriguez, J A; Campbell, C T

Direct Evidence of Metallicity at ZnO (0001bar)-(1x1) Surfaces from Angle-resolved Photoemission Spectroscopy

Journal Article · 2010 · Physical Review B: Condensed Matter and Materials Physics · OSTI ID:1020030

Piper, L; Preston, A; Fedorov, A; +3 more

Title: Role of hydrogen on the ZnO(0001̄)-(1x1) surface

Citation Formats

References (28)

Similar Records

Related Subjects