Electronic structures of an epitaxial graphene monolayer on SiC(0001) after metal intercalation (metal = Al, Ag, Au, Pt, and Pd): A first-principles study

Hsu, Chia-Hsiu; Lin, Wen-Huan; Ozolins, Vidvuds; Chuang, Feng-Chuan

doi:10.1063/1.3682303

Electronic structures of an epitaxial graphene monolayer on SiC(0001) after metal intercalation (metal = Al, Ag, Au, Pt, and Pd): A first-principles study

Journal Article · Sun Feb 05 23:00:00 EST 2012 · Applied Physics Letters

DOI:https://doi.org/10.1063/1.3682303· OSTI ID:1381377

Hsu, Chia-Hsiu; Lin, Wen-Huan; Ozolins, Vidvuds; Chuang, Feng-Chuan

The atomic structures and electronic properties of metal-intercalated (metal = Al, Ag, Au, Pt, and Pd) graphene monolayers on SiC(0001) were investigated using first-principles calculations. The unique Dirac cone of graphene near the K point reappeared as the graphite layer was intercalated by these metals at a coverage of 3/8 ML. Furthermore, our results show that metal intercalation leads to n-type doping of graphene. The bands contributed from graphene exhibit small splitting after intercalation, whereas the bands contributed from the intercalated metal layer have significant Rashba spin-orbit splittings in all cases except Al.

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Molecularly Engineered Energy Materials (MEEM)

Sponsoring Organization:: USDOE SC Office of Basic Energy Sciences (SC-22)

DOE Contract Number:: SC0001342

OSTI ID:: 1381377

Journal Information:: Applied Physics Letters, Journal Name: Applied Physics Letters Journal Issue: 6 Vol. 100; ISSN 0003-6951

Publisher:: American Institute of Physics (AIP)

Country of Publication:: United States

Language:: English

References (28)

Electronic decoupling of an epitaxial graphene monolayer by gold intercalation Gierz, Isabella; Suzuki, Takayuki; Weitz, R. Thomas Physical Review B, Vol. 81, Issue 23 https://doi.org/10.1103/PhysRevB.81.235408	journal	June 2010
Highly p-doped epitaxial graphene obtained by fluorine intercalation Walter, Andrew L.; Jeon, Ki-Joon; Bostwick, Aaron Applied Physics Letters, Vol. 98, Issue 18 https://doi.org/10.1063/1.3586256	journal	May 2011
Quasi-Free-Standing Epitaxial Graphene on SiC Obtained by Hydrogen Intercalation Riedl, C.; Coletti, C.; Iwasaki, T. Physical Review Letters, Vol. 103, Issue 24 https://doi.org/10.1103/PhysRevLett.103.246804	journal	December 2009
Electronic Structure of Epitaxial Graphene Layers on SiC: Effect of the Substrate Varchon, F.; Feng, R.; Hass, J. Physical Review Letters, Vol. 99, Issue 12 https://doi.org/10.1103/PhysRevLett.99.126805	journal	September 2007
Quasiparticle dynamics in graphene Bostwick, Aaron; Ohta, Taisuke; Seyller, Thomas Nature Physics, Vol. 3, Issue 1 https://doi.org/10.1038/nphys477	journal	December 2006
Exposure of Epitaxial Graphene on SiC(0001) to Atomic Hydrogen Guisinger, Nathan P.; Rutter, Gregory M.; Crain, Jason N. Nano Letters, Vol. 9, Issue 4 https://doi.org/10.1021/nl803331q	journal	April 2009
The quasi-free-standing nature of graphene on H-saturated SiC(0001) Speck, F.; Jobst, J.; Fromm, F. Applied Physics Letters, Vol. 99, Issue 12 https://doi.org/10.1063/1.3643034	journal	September 2011
Atomic Hole Doping of Graphene Gierz, Isabella; Riedl, Christian; Starke, Ulrich Nano Letters, Vol. 8, Issue 12 https://doi.org/10.1021/nl802996s	journal	December 2008
Giant Spin Splitting through Surface Alloying Ast, Christian R.; Henk, Jürgen; Ernst, Arthur Physical Review Letters, Vol. 98, Issue 18 https://doi.org/10.1103/PhysRevLett.98.186807	journal	May 2007
Graphene with structure-induced spin-orbit coupling: Spin-polarized states, spin zero modes, and quantum Hall effect Rashba, Emmanuel I. Physical Review B, Vol. 79, Issue 16 https://doi.org/10.1103/PhysRevB.79.161409	journal	April 2009
Ambipolar doping in quasifree epitaxial graphene on SiC(0001) controlled by Ge intercalation Emtsev, Konstantin V.; Zakharov, Alexei A.; Coletti, Camilla Physical Review B, Vol. 84, Issue 12 https://doi.org/10.1103/PhysRevB.84.125423	journal	September 2011
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
First-principles study of metal–graphene interfaces Gong, Cheng; Lee, Geunsik; Shan, Bin Journal of Applied Physics, Vol. 108, Issue 12 https://doi.org/10.1063/1.3524232	journal	December 2010
Quantum Spin Hall Effect in Graphene Kane, C. L.; Mele, E. J. Physical Review Letters, Vol. 95, Issue 22 https://doi.org/10.1103/PhysRevLett.95.226801	journal	November 2005
Origin of Anomalous Electronic Structures of Epitaxial Graphene on Silicon Carbide Kim, Seungchul; Ihm, Jisoon; Choi, Hyoung Joon Physical Review Letters, Vol. 100, Issue 17 https://doi.org/10.1103/PhysRevLett.100.176802	journal	April 2008
Epitaxial graphene on 6 H -SiC and Li intercalation Virojanadara, C.; Watcharinyanon, S.; Zakharov, A. A. Physical Review B, Vol. 82, Issue 20 https://doi.org/10.1103/PhysRevB.82.205402	journal	November 2010
Doping Graphene with Metal Contacts Giovannetti, G.; Khomyakov, P. A.; Brocks, G. Physical Review Letters, Vol. 101, Issue 2 https://doi.org/10.1103/PhysRevLett.101.026803	journal	July 2008
Charge neutrality and band-gap tuning of epitaxial graphene on SiC by molecular doping Coletti, C.; Riedl, C.; Lee, D. S. Physical Review B, Vol. 81, Issue 23 https://doi.org/10.1103/PhysRevB.81.235401	journal	June 2010
Controlling the Electronic Structure of Bilayer Graphene Ohta, Taisuke; Bostwick, Aaron; Seyller, Thomas Science, Vol. 313, Issue 5789 https://doi.org/10.1126/science.1130681	journal	August 2006
Band Engineering and Magnetic Doping of Epitaxial Graphene on SiC (0001) Jayasekera, Thushari; Kong, B. D.; Kim, K. W. Physical Review Letters, Vol. 104, Issue 14 https://doi.org/10.1103/PhysRevLett.104.146801	journal	April 2010
Substrate-induced bandgap opening in epitaxial graphene Zhou, S. Y.; Gweon, G. -H.; Fedorov, A. V. Nature Materials, Vol. 6, Issue 10 https://doi.org/10.1038/nmat2003	journal	September 2007
First-principles study of the interaction and charge transfer between graphene and metals Khomyakov, P. A.; Giovannetti, G.; Rusu, P. C. Physical Review B, Vol. 79, Issue 19 https://doi.org/10.1103/PhysRevB.79.195425	journal	May 2009
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
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
Surface intercalation of gold underneath a graphene monolayer on SiC(0001) studied by scanning tunneling microscopy and spectroscopy Premlal, B.; Cranney, M.; Vonau, F. Applied Physics Letters, Vol. 94, Issue 26 https://doi.org/10.1063/1.3168502	journal	June 2009
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
Van der Waals density functionals applied to solids Klimeš, Jiří; Bowler, David R.; Michaelides, Angelos Physical Review B, Vol. 83, Issue 19 https://doi.org/10.1103/PhysRevB.83.195131	journal	May 2011
Ab Initio Study of Graphene on SiC Mattausch, Alexander; Pankratov, Oleg Physical Review Letters, Vol. 99, Issue 7 https://doi.org/10.1103/PhysRevLett.99.076802	journal	August 2007

Similar Records

Electronic Structure of Double-Layer Epitaxial Graphene on SiC(0001) Modified by Gd Intercalation

Journal Article · Mon Dec 14 23:00:00 EST 2020 · Journal of Physical Chemistry. C · OSTI ID:1756048

Chemical vapour deposition of graphene on Nk(111) and Co(0001) and intercalation with Au to study Dirac Cone Formation and Rashba splitting

Journal Article · Thu Dec 31 23:00:00 EST 2009 · Diamond and Related Materials · OSTI ID:988263

Rashba splitting of 100 meV in Au-intercalated graphene on SiC

Journal Article · Mon Apr 25 00:00:00 EDT 2016 · Applied Physics Letters · OSTI ID:22591641

Related Subjects

36 MATERIALS SCIENCE
charge transport
energy storage (including batteries and capacitors)
materials and chemistry by design
membrane
solar (photovoltaic)
synthesis (novel materials)
synthesis (scalable processing)
synthesis (self-assembly)

Electronic structures of an epitaxial graphene monolayer on SiC(0001) after metal intercalation (metal = Al, Ag, Au, Pt, and Pd): A first-principles study

Citation Formats

References (28)

Similar Records

Related Subjects