Intrinsic magnetism and spontaneous band gap opening in bilayer silicene and germanene

Wang, Xinquan; Wu, Zhigang

doi:10.1039/c6cp07184h

Title: Intrinsic magnetism and spontaneous band gap opening in bilayer silicene and germanene

Journal Article · Sun Jan 01 00:00:00 EST 2017 · Physical Chemistry Chemical Physics

DOI:https://doi.org/10.1039/c6cp07184h· OSTI ID:1491010

Wang, Xinquan ^[1];

^[1]

Colorado School of Mines, Golden, CO (United States). Dept. of Physics

It has been long sought to create magnetism out of simple non-magnetic materials, such as silicon and germanium. Here we show that intrinsic magnetism exists in bilayer silicene and germanene with no need to cut, etch, or dope. Unlike bilayer graphene, strong covalent interlayer bonding formed in bilayer silicene and germanene breaks the original π-bonding network of each layer, leaving the unbonded electrons unpaired and localized to carry magnetic moments. These magnetic moments then couple ferromagnetically within each layer while antiferromagnetically across two layers, giving rise to an infinite magnetic sheet with structural integrity and magnetic homogeneity. Furthermore, this unique magnetic ordering results in fundamental band gaps of 0.55 eV and 0.32 eV for bilayer silicene and germanene, respectively. The integration of intrinsic magnetism and spontaneous band gap opening makes bilayer silicene and germanene attractive for future nanoelectronics as well as spin-based computation and data storage.

Cite

Export

Save

Research Organization:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). National Energy Research Scientific Computing Center (NERSC)

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

DOE Contract Number:: SC0006433

OSTI ID:: 1491010

Journal Information:: Physical Chemistry Chemical Physics, Vol. 19, Issue 3; ISSN 1463-9076

Country of Publication:: United States

Language:: English

References (41)

Understanding of the Buckling Distortions in Silicene Jose, Deepthi; Datta, Ayan The Journal of Physical Chemistry C, Vol. 116, Issue 46 https://doi.org/10.1021/jp3084716	journal	November 2012
Quantum Phase Transition in Germanene and Stanene Bilayer: From Normal Metal to Topological Insulator Huang, Chengxi; Zhou, Jian; Wu, Haiping The Journal of Physical Chemistry Letters, Vol. 7, Issue 10 https://doi.org/10.1021/acs.jpclett.6b00651	journal	May 2016
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
Energy Gaps in Graphene Nanoribbons Son, Young-Woo; Cohen, Marvin L.; Louie, Steven G. Physical Review Letters, Vol. 97, Issue 21 https://doi.org/10.1103/PhysRevLett.97.216803	journal	November 2006
New family of room temperature quantum spin Hall insulators in two-dimensional germanene films Zhang, Run-wu; Ji, Wei-xiao; Zhang, Chang-wen Journal of Materials Chemistry C, Vol. 4, Issue 10 https://doi.org/10.1039/C6TC00160B	journal	January 2016
The electronic and magnetic properties of functionalized silicene: a first-principles study Zheng, Fu-bao; Zhang, Chang-wen Nanoscale Research Letters, Vol. 7, Issue 1 https://doi.org/10.1186/1556-276X-7-422	journal	July 2012
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
Magnetic ordering at the edges of graphitic fragments: Magnetic tail interactions between the edge-localized states Lee, Hosik; Son, Young-Woo; Park, Noejung Physical Review B, Vol. 72, Issue 17 https://doi.org/10.1103/PhysRevB.72.174431	journal	November 2005
Buckled Silicene Formation on Ir(111) Meng, Lei; Wang, Yeliang; Zhang, Lizhi Nano Letters, Vol. 13, Issue 2, p. 685-690 https://doi.org/10.1021/nl304347w	journal	January 2013
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
Silicane as an Inert Substrate of Silicene: A Promising Candidate for FET Zhang, Run-wu; Zhang, Chang-wen; Ji, Wei-xiao The Journal of Physical Chemistry C, Vol. 118, Issue 43 https://doi.org/10.1021/jp508253x	journal	October 2014
Evidence of Silicene in Honeycomb Structures of Silicon on Ag(111) Feng, Baojie; Ding, Zijing; Meng, Sheng Nano Letters, Vol. 12, Issue 7, p. 3507-3511 https://doi.org/10.1021/nl301047g	journal	June 2012
$d + i d^{'}$ Chiral Superconductivity in Bilayer Silicene Liu, Feng; Liu, Cheng-Cheng; Wu, Kehui Physical Review Letters, Vol. 111, Issue 6 https://doi.org/10.1103/PhysRevLett.111.066804	journal	August 2013
Experimental Evidence for Epitaxial Silicene on Diboride Thin Films Fleurence, Antoine; Friedlein, Rainer; Ozaki, Taisuke Physical Review Letters, Vol. 108, Issue 24 https://doi.org/10.1103/PhysRevLett.108.245501	journal	June 2012
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
Electron-phonon coupling in two-dimensional silicene and germanene Yan, Jia-An; Stein, Ryan; Schaefer, David M. Physical Review B, Vol. 88, Issue 12 https://doi.org/10.1103/PhysRevB.88.121403	journal	September 2013
Electric Field Effect in Atomically Thin Carbon Films Novoselov, K. S. Science, Vol. 306, Issue 5696, p. 666-669 https://doi.org/10.1126/science.1102896	journal	October 2004
Monolayer-to-bilayer transformation of silicenes and their structural analysis Yaokawa, Ritsuko; Ohsuna, Tetsu; Morishita, Tetsuya Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms10657	journal	February 2016
Stability and Exfoliation of Germanane: A Germanium Graphane Analogue Bianco, Elisabeth; Butler, Sheneve; Jiang, Shishi ACS Nano, Vol. 7, Issue 5 https://doi.org/10.1021/nn4009406	journal	March 2013
Intrinsic magnetism at silicon surfaces Erwin, Steven C.; Himpsel, F. J. Nature Communications, Vol. 1, Issue 1 https://doi.org/10.1038/ncomms1056	journal	August 2010
Electronic and Chemical Properties of Germanene: The Crucial Role of Buckling Nijamudheen, A.; Bhattacharjee, Rameswar; Choudhury, Snehashis The Journal of Physical Chemistry C, Vol. 119, Issue 7 https://doi.org/10.1021/jp511488m	journal	February 2015
Room-temperature ferromagnetism in graphite driven by two-dimensional networks of point defects Červenka, J.; Katsnelson, M. I.; Flipse, C. F. J. Nature Physics, Vol. 5, Issue 11 https://doi.org/10.1038/nphys1399	journal	October 2009
Electronic structure of silicon-based nanostructures Guzmán-Verri, Gian G.; Lew Yan Voon, L. C. Physical Review B, Vol. 76, Issue 7 https://doi.org/10.1103/PhysRevB.76.075131	journal	August 2007
Graphene transistors Schwierz, Frank Nature Nanotechnology, Vol. 5, Issue 7 https://doi.org/10.1038/nnano.2010.89	journal	May 2010
Evidence for Dirac Fermions in a Honeycomb Lattice Based on Silicon Chen, Lan; Liu, Cheng-Cheng; Feng, Baojie Physical Review Letters, Vol. 109, Issue 5 https://doi.org/10.1103/PhysRevLett.109.056804	journal	August 2012
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
Tip enhanced Raman spectroscopy (TERS) as a probe for the buckling distortion in silicene Jose, Deepthi; Nijamudheen, A.; Datta, Ayan Physical Chemistry Chemical Physics, Vol. 15, Issue 22 https://doi.org/10.1039/c3cp51028j	journal	January 2013
Structures and electronic properties of silicene clusters: a promising material for FET and hydrogen storage Jose, Deepthi; Datta, Ayan Physical Chemistry Chemical Physics, Vol. 13, Issue 16 https://doi.org/10.1039/c0cp02580a	journal	January 2011
Free-Standing Bilayer Silicene: The Effect of Stacking Order on the Structural, Electronic, and Transport Properties Padilha, José E.; Pontes, Renato B. The Journal of Physical Chemistry C, Vol. 119, Issue 7 https://doi.org/10.1021/jp512489m	journal	February 2015
Phonon dispersions of silicon and germanium from first-principles calculations Wei, Siqing; Chou, M. Y. Physical Review B, Vol. 50, Issue 4 https://doi.org/10.1103/PhysRevB.50.2221	journal	July 1994
Valley-Polarized Metals and Quantum Anomalous Hall Effect in Silicene Ezawa, Motohiko Physical Review Letters, Vol. 109, Issue 5 https://doi.org/10.1103/PhysRevLett.109.055502	journal	August 2012
Electronic excitations: density-functional versus many-body Green’s-function approaches Onida, Giovanni; Reining, Lucia; Rubio, Angel Reviews of Modern Physics, Vol. 74, Issue 2 https://doi.org/10.1103/RevModPhys.74.601	journal	June 2002
Induced Magnetic Ordering by Proton Irradiation in Graphite Esquinazi, P.; Spemann, D.; Höhne, R. Physical Review Letters, Vol. 91, Issue 22 https://doi.org/10.1103/PhysRevLett.91.227201	journal	November 2003
Structures and Chemical Properties of Silicene: Unlike Graphene Jose, Deepthi; Datta, Ayan Accounts of Chemical Research, Vol. 47, Issue 2 https://doi.org/10.1021/ar400180e	journal	November 2013
Theory of Interedge Superexchange in Zigzag Edge Magnetism Jung, J.; Pereg-Barnea, T.; MacDonald, A. H. Physical Review Letters, Vol. 102, Issue 22 https://doi.org/10.1103/PhysRevLett.102.227205	journal	June 2009
The electronic properties of graphene Castro Neto, A. H.; Guinea, F.; Peres, N. M. R. Reviews of Modern Physics, Vol. 81, Issue 1, p. 109-162 https://doi.org/10.1103/RevModPhys.81.109	journal	January 2009
Silicene: Compelling Experimental Evidence for Graphenelike Two-Dimensional Silicon Vogt, Patrick; De Padova, Paola; Quaresima, Claudio Physical Review Letters, Vol. 108, Issue 15 https://doi.org/10.1103/PhysRevLett.108.155501	journal	April 2012
Defects in Irradiated Silicon: Electron Paramagnetic Resonance and Electron-Nuclear Double Resonance of the Arsenic- and Antimony-Vacancy Pairs Elkin, Edward L.; Watkins, G. D. Physical Review, Vol. 174, Issue 3 https://doi.org/10.1103/PhysRev.174.881	journal	October 1968
Quantum Spin Hall Effect in Silicene and Two-Dimensional Germanium Liu, Cheng-Cheng; Feng, Wanxiang; Yao, Yugui Physical Review Letters, Vol. 107, Issue 7 https://doi.org/10.1103/PhysRevLett.107.076802	journal	August 2011
Structural transition of silicene on Ag(111) Arafune, Ryuichi; Lin, Chun-Liang; Kawahara, Kazuaki Surface Science, Vol. 608 https://doi.org/10.1016/j.susc.2012.10.022	journal	February 2013
Silicon-based chalcogenide: Unexpected quantum spin Hall insulator with sizable band gap Zhang, Run-wu; Zhang, Chang-wen; Ji, Wei-xiao Applied Physics Letters, Vol. 109, Issue 18 https://doi.org/10.1063/1.4966124	journal	October 2016

Similar Records

Thermally driven phase transitions in freestanding low-buckled silicene, germanene, and stanene

Journal Article · Wed May 31 00:00:00 EDT 2023 · Physical Review Materials · OSTI ID:1491010

Davis, John M.; Orozco-Galvan, Gustavo S.; Barraza-Lopez, Salvador

The formation and electronic properties of hydrogenated bilayer silicene from first-principles

Journal Article · Mon Jul 14 00:00:00 EDT 2014 · Journal of Applied Physics · OSTI ID:1491010

Rui, Wang; Shaofeng, Wang; Xiaozhi, Wu

Stacking-dependent electronic structure of bilayer silicene

Journal Article · Mon Mar 31 00:00:00 EDT 2014 · Applied Physics Letters · OSTI ID:1491010

Fu, Huixia; Zhang, Jin; Ding, Zijing; +2 more

Title: Intrinsic magnetism and spontaneous band gap opening in bilayer silicene and germanene

Citation Formats

References (41)

Similar Records

Related Subjects