DOI: 10.1063/1.3489937. Can silicon behave like graphene? A first-principles study

Can silicon behave like graphene? A first-principles study

10.1063/1.3489937

Crossref journal-article

AIP Publishing

Applied Physics Letters (317)

Abstract

The electronic properties of two-dimensional hexagonal silicon (silicene) are investigated using first-principles simulations. Though silicene is predicted to be a gapless semiconductor, due to the sp2-hybridization of its atomic orbitals, the weak overlapping between 3pz orbitals of neighbor Si atoms leads to a very reactive surface, resulting in a more energetically stable semiconducting surface upon the adsorption of foreign chemical species. It is predicted that silicene inserted into a graphitelike lattice, like ultrathin AlN stacks, preserves its sp2-hydridization, and hence its graphenelike electronic properties.

Bibliography

Houssa, M., Pourtois, G., Afanasâev, V. V., & Stesmans, A. (2010). Can silicon behave like graphene? A first-principles study. Applied Physics Letters, 97(11).

Authors 4

M. Houssa (first)
G. Pourtois (additional)
V. V. Afanas’ev (additional)
A. Stesmans (additional)

References 23 Referenced 211

10.1038/nmat1849 / Nature Mater. (2007)
10.1103/RevModPhys.81.109 / Rev. Mod. Phys. (2009)
10.1016/j.susc.2006.09.030 / Surf. Sci. (2007)
10.1007/s10948-008-0427-8 / J. Supercond. Novel Magn. (2009)
10.1103/PhysRevB.72.195426 / Phys. Rev. B (2005)
10.1103/PhysRevB.79.115409 / Phys. Rev. B (2009)
10.1103/PhysRevLett.102.236804 / Phys. Rev. Lett. (2009)
10.1103/PhysRevLett.92.246401 / Phys. Rev. Lett. (2004)
10.1088/0953-8984/14/11/302 / J. Phys.: Condens. Matter (2002)
10.1103/PhysRevLett.103.096102 / Phys. Rev. Lett. (2009)
10.1103/PhysRevLett.91.126402 / Phys. Rev. Lett. (2003)
10.1103/PhysRevB.43.1993 / Phys. Rev. B (1991)
10.1142/9781860943799 / Physical Properties of Carbon Nanotubes (1998)
10.1103/RevModPhys.79.677 / Rev. Mod. Phys. (2007)
10.1103/PhysRevB.75.153401 / Phys. Rev. B (2007)
{'volume-title': 'Electronic Structure: Basic Theory and Practical Methods', 'year': '2004', 'key': '2023070300075151700_c16'} / Electronic Structure: Basic Theory and Practical Methods (2004)
10.1103/PhysRevB.48.4335 / Phys. Rev. B (1993)
10.1063/1.2966482 / J. Appl. Phys. (2008)
10.1063/1.3118593 / Appl. Phys. Lett. (2009)
10.1103/PhysRevLett.96.066102 / Phys. Rev. Lett. (2006)
10.1103/PhysRevLett.99.026102 / Phys. Rev. Lett. (2007)
10.1002/adma.200306470 / Adv. Mater. (Weinheim, Ger.) (2004)
10.1002/adma.200501224 / Adv. Mater. (Weinheim, Ger.) (2006)

Dates

Type	When
Created	14 years, 11 months ago (Sept. 15, 2010, 5:13 p.m.)
Deposited	2 years, 2 months ago (July 2, 2023, 8:07 p.m.)
Indexed	2 weeks, 4 days ago (Aug. 19, 2025, 6:32 a.m.)
Issued	14 years, 11 months ago (Sept. 13, 2010)
Published	14 years, 11 months ago (Sept. 13, 2010)
Published Online	14 years, 11 months ago (Sept. 15, 2010)
Published Print	14 years, 11 months ago (Sept. 13, 2010)

Funders 0

None

BibTeX

@article{Houssa_2010, title={Can silicon behave like graphene? A first-principles study}, volume={97}, ISSN={1077-3118}, url={http://dx.doi.org/10.1063/1.3489937}, DOI={10.1063/1.3489937}, number={11}, journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Houssa, M. and Pourtois, G. and Afanas’ev, V. V. and Stesmans, A.}, year={2010}, month=sep }

JSON

{
  "indexed": {
    "date-parts": [
      [
        2025,
        8,
        19
      ]
    ],
    "date-time": "2025-08-19T10:32:54Z",
    "timestamp": 1755599574395,
    "version": "3.41.2"
  },
  "reference-count": 23,
  "publisher": "AIP Publishing",
  "issue": "11",
  "content-domain": {
    "domain": [
      "pubs.aip.org"
    ],
    "crossmark-restriction": true
  },
  "published-print": {
    "date-parts": [
      [
        2010,
        9,
        13
      ]
    ]
  },
  "abstract": "<jats:p>The electronic properties of two-dimensional hexagonal silicon (silicene) are investigated using first-principles simulations. Though silicene is predicted to be a gapless semiconductor, due to the sp2-hybridization of its atomic orbitals, the weak overlapping between 3pz orbitals of neighbor Si atoms leads to a very reactive surface, resulting in a more energetically stable semiconducting surface upon the adsorption of foreign chemical species. It is predicted that silicene inserted into a graphitelike lattice, like ultrathin AlN stacks, preserves its sp2-hydridization, and hence its graphenelike electronic properties.</jats:p>",
  "DOI": "10.1063/1.3489937",
  "type": "journal-article",
  "created": {
    "date-parts": [
      [
        2010,
        9,
        15
      ]
    ],
    "date-time": "2010-09-15T21:13:09Z",
    "timestamp": 1284585189000
  },
  "update-policy": "https://doi.org/10.1063/aip-crossmark-policy-page",
  "source": "Crossref",
  "is-referenced-by-count": 211,
  "title": "Can silicon behave like graphene? A first-principles study",
  "prefix": "10.1063",
  "volume": "97",
  "author": [
    {
      "given": "M.",
      "family": "Houssa",
      "sequence": "first",
      "affiliation": [
        {
          "name": "University of Leuven 1 Department of Physics and Astronomy, Semiconductor Physics Laboratory, , Celestijnenlaan 200 D, B-3001 Leuven, Belgium"
        }
      ]
    },
    {
      "given": "G.",
      "family": "Pourtois",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "IMEC 2 , 75 Kapeldreef, B-3001 Leuven, Belgium"
        }
      ]
    },
    {
      "given": "V. V.",
      "family": "Afanas\u2019ev",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "University of Leuven 1 Department of Physics and Astronomy, Semiconductor Physics Laboratory, , Celestijnenlaan 200 D, B-3001 Leuven, Belgium"
        }
      ]
    },
    {
      "given": "A.",
      "family": "Stesmans",
      "sequence": "additional",
      "affiliation": [
        {
          "name": "University of Leuven 1 Department of Physics and Astronomy, Semiconductor Physics Laboratory, , Celestijnenlaan 200 D, B-3001 Leuven, Belgium"
        }
      ]
    }
  ],
  "member": "317",
  "published-online": {
    "date-parts": [
      [
        2010,
        9,
        15
      ]
    ]
  },
  "reference": [
    {
      "key": "2023070300075151700_c1",
      "doi-asserted-by": "publisher",
      "first-page": "183",
      "DOI": "10.1038/nmat1849",
      "volume": "6",
      "year": "2007",
      "journal-title": "Nature Mater."
    },
    {
      "key": "2023070300075151700_c2",
      "doi-asserted-by": "publisher",
      "first-page": "109",
      "DOI": "10.1103/RevModPhys.81.109",
      "volume": "81",
      "year": "2009",
      "journal-title": "Rev. Mod. Phys."
    },
    {
      "key": "2023070300075151700_c3",
      "doi-asserted-by": "publisher",
      "first-page": "262",
      "DOI": "10.1016/j.susc.2006.09.030",
      "volume": "601",
      "year": "2007",
      "journal-title": "Surf. Sci."
    },
    {
      "key": "2023070300075151700_c4",
      "doi-asserted-by": "publisher",
      "first-page": "259",
      "DOI": "10.1007/s10948-008-0427-8",
      "volume": "22",
      "year": "2009",
      "journal-title": "J. Supercond. Novel Magn."
    },
    {
      "key": "2023070300075151700_c5",
      "doi-asserted-by": "publisher",
      "first-page": "195426",
      "DOI": "10.1103/PhysRevB.72.195426",
      "volume": "72",
      "year": "2005",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2023070300075151700_c6",
      "doi-asserted-by": "publisher",
      "first-page": "115409",
      "DOI": "10.1103/PhysRevB.79.115409",
      "volume": "79",
      "year": "2009",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2023070300075151700_c7",
      "doi-asserted-by": "publisher",
      "first-page": "236804",
      "DOI": "10.1103/PhysRevLett.102.236804",
      "volume": "102",
      "year": "2009",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2023070300075151700_c8",
      "doi-asserted-by": "publisher",
      "first-page": "246401",
      "DOI": "10.1103/PhysRevLett.92.246401",
      "volume": "92",
      "year": "2004",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2023070300075151700_c9",
      "doi-asserted-by": "publisher",
      "first-page": "2745",
      "DOI": "10.1088/0953-8984/14/11/302",
      "volume": "14",
      "year": "2002",
      "journal-title": "J. Phys.: Condens. Matter"
    },
    {
      "key": "2023070300075151700_c10",
      "doi-asserted-by": "publisher",
      "first-page": "096102",
      "DOI": "10.1103/PhysRevLett.103.096102",
      "volume": "103",
      "year": "2009",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2023070300075151700_c11",
      "doi-asserted-by": "publisher",
      "first-page": "126402",
      "DOI": "10.1103/PhysRevLett.91.126402",
      "volume": "91",
      "year": "2003",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2023070300075151700_c12",
      "doi-asserted-by": "publisher",
      "first-page": "1993",
      "DOI": "10.1103/PhysRevB.43.1993",
      "volume": "43",
      "year": "1991",
      "journal-title": "Phys. Rev. B"
    },
    {
      "volume-title": "Physical Properties of Carbon Nanotubes",
      "year": "1998",
      "key": "2023070300075151700_c13",
      "doi-asserted-by": "publisher",
      "DOI": "10.1142/9781860943799"
    },
    {
      "key": "2023070300075151700_c14",
      "doi-asserted-by": "publisher",
      "first-page": "677",
      "DOI": "10.1103/RevModPhys.79.677",
      "volume": "79",
      "year": "2007",
      "journal-title": "Rev. Mod. Phys."
    },
    {
      "key": "2023070300075151700_c15",
      "doi-asserted-by": "publisher",
      "first-page": "153401",
      "DOI": "10.1103/PhysRevB.75.153401",
      "volume": "75",
      "year": "2007",
      "journal-title": "Phys. Rev. B"
    },
    {
      "volume-title": "Electronic Structure: Basic Theory and Practical Methods",
      "year": "2004",
      "key": "2023070300075151700_c16"
    },
    {
      "key": "2023070300075151700_c17",
      "doi-asserted-by": "publisher",
      "first-page": "4335",
      "DOI": "10.1103/PhysRevB.48.4335",
      "volume": "48",
      "year": "1993",
      "journal-title": "Phys. Rev. B"
    },
    {
      "key": "2023070300075151700_c18",
      "doi-asserted-by": "publisher",
      "first-page": "093713",
      "DOI": "10.1063/1.2966482",
      "volume": "104",
      "year": "2008",
      "journal-title": "J. Appl. Phys."
    },
    {
      "key": "2023070300075151700_c19",
      "doi-asserted-by": "publisher",
      "first-page": "151906",
      "DOI": "10.1063/1.3118593",
      "volume": "94",
      "year": "2009",
      "journal-title": "Appl. Phys. Lett."
    },
    {
      "key": "2023070300075151700_c20",
      "doi-asserted-by": "publisher",
      "first-page": "066102",
      "DOI": "10.1103/PhysRevLett.96.066102",
      "volume": "96",
      "year": "2006",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2023070300075151700_c21",
      "doi-asserted-by": "publisher",
      "first-page": "026102",
      "DOI": "10.1103/PhysRevLett.99.026102",
      "volume": "99",
      "year": "2007",
      "journal-title": "Phys. Rev. Lett."
    },
    {
      "key": "2023070300075151700_c22",
      "doi-asserted-by": "publisher",
      "first-page": "872",
      "DOI": "10.1002/adma.200306470",
      "volume": "16",
      "year": "2004",
      "journal-title": "Adv. Mater. (Weinheim, Ger.)"
    },
    {
      "key": "2023070300075151700_c23",
      "doi-asserted-by": "publisher",
      "first-page": "1023",
      "DOI": "10.1002/adma.200501224",
      "volume": "18",
      "year": "2006",
      "journal-title": "Adv. Mater. (Weinheim, Ger.)"
    }
  ],
  "container-title": "Applied Physics Letters",
  "original-title": [],
  "language": "en",
  "link": [
    {
      "URL": "https://pubs.aip.org/aip/apl/article-pdf/doi/10.1063/1.3489937/13157251/112106_1_online.pdf",
      "content-type": "application/pdf",
      "content-version": "vor",
      "intended-application": "syndication"
    },
    {
      "URL": "https://pubs.aip.org/aip/apl/article-pdf/doi/10.1063/1.3489937/13157251/112106_1_online.pdf",
      "content-type": "unspecified",
      "content-version": "vor",
      "intended-application": "similarity-checking"
    }
  ],
  "deposited": {
    "date-parts": [
      [
        2023,
        7,
        3
      ]
    ],
    "date-time": "2023-07-03T00:07:59Z",
    "timestamp": 1688342879000
  },
  "score": 1,
  "resource": {
    "primary": {
      "URL": "https://pubs.aip.org/apl/article/97/11/112106/339020/Can-silicon-behave-like-graphene-A-first"
    }
  },
  "subtitle": [],
  "short-title": [],
  "issued": {
    "date-parts": [
      [
        2010,
        9,
        13
      ]
    ]
  },
  "references-count": 23,
  "journal-issue": {
    "issue": "11",
    "published-print": {
      "date-parts": [
        [
          2010,
          9,
          13
        ]
      ]
    }
  },
  "URL": "http://dx.doi.org/10.1063/1.3489937",
  "relation": {},
  "ISSN": [
    "0003-6951",
    "1077-3118"
  ],
  "subject": [],
  "published-other": {
    "date-parts": [
      [
        2010,
        9,
        13
      ]
    ]
  },
  "published": {
    "date-parts": [
      [
        2010,
        9,
        13
      ]
    ]
  },
  "article-number": "112106"
}