Group-IV semiconductor compounds

Berding, M A; Sher, A; van Schilfgaarde, M

doi:10.1103/PhysRevB.56.3885

Title: Group-IV semiconductor compounds

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Abstract

Properties of ordered group-IV compounds containing carbon, silicon, and germanium are calculated within the local density approximation. Twenty-seven fully relaxed compounds represented by seven different compound structures are compared and, with the exception of SiC, all compounds are found to be metastable. Two trends emerge: carbon-germanium bonds are disfavored, and compounds that have carbon on a common sublattice are the least unbound because of their relatively low strain. When carbon shares a sublattice with silicon or germanium, the large strain results in a narrowing of the band gap, and in some cases the compound is metallic. The most promising structures with the lowest excess energy contain carbon on one sublattice and although they do not lattice match to silicon, they match rather well to silicon carbide. {copyright} {ital 1997} {ital The American Physical Society}

Authors:

Berding, M A; Sher, A; van Schilfgaarde, M ^[1]

SRI International, Menlo Park, California 94025 (United States)

Publication Date:: Fri Aug 01 00:00:00 EDT 1997

OSTI Identifier:: 538535

Resource Type:: Journal Article

Journal Name:: Physical Review, B: Condensed Matter

Additional Journal Information:: Journal Volume: 56; Journal Issue: 7; Other Information: PBD: Aug 1997

Country of Publication:: United States

Language:: English

Subject:: 66 PHYSICS; SEMICONDUCTOR MATERIALS; ELECTRONIC STRUCTURE; ENERGY GAP; CRYSTAL STRUCTURE; SILICON COMPOUNDS; GERMANIUM COMPOUNDS; SILICON ALLOYS; SILICON CARBIDES; GERMANIUM ALLOYS; CHEMICAL BONDS; METASTABLE STATES; MUFFIN-TIN POTENTIAL; STRAINS

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                    Berding, M A, Sher, A, and van Schilfgaarde, M. Group-IV semiconductor compounds.  United States: N. p., 1997. 
        Web.  doi:10.1103/PhysRevB.56.3885.

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                    Berding, M A, Sher, A, & van Schilfgaarde, M. Group-IV semiconductor compounds.  United States.  https://doi.org/10.1103/PhysRevB.56.3885

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                    Berding, M A, Sher, A, and van Schilfgaarde, M. 1997.  
        "Group-IV semiconductor compounds".  United States.  https://doi.org/10.1103/PhysRevB.56.3885.

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@article{osti_538535,

  title        = {Group-IV semiconductor compounds},

  author       = {Berding, M A and Sher, A and van Schilfgaarde, M},

  abstractNote = {Properties of ordered group-IV compounds containing carbon, silicon, and germanium are calculated within the local density approximation. Twenty-seven fully relaxed compounds represented by seven different compound structures are compared and, with the exception of SiC, all compounds are found to be metastable. Two trends emerge: carbon-germanium bonds are disfavored, and compounds that have carbon on a common sublattice are the least unbound because of their relatively low strain. When carbon shares a sublattice with silicon or germanium, the large strain results in a narrowing of the band gap, and in some cases the compound is metallic. The most promising structures with the lowest excess energy contain carbon on one sublattice and although they do not lattice match to silicon, they match rather well to silicon carbide. {copyright} {ital 1997} {ital The American Physical Society}},

  doi          = {10.1103/PhysRevB.56.3885},

  url          = {https://www.osti.gov/biblio/538535},
  journal      = {Physical Review, B: Condensed Matter},
number       = 7,

  volume       = 56,

  place        = {United States},

  year         = {Fri Aug 01 00:00:00 EDT 1997},

  month        = {Fri Aug 01 00:00:00 EDT 1997}

}

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