Journal of Synthetic Crystals, Volume. 49, Issue 2, 229(2020)

First-principles Calculation on Co Doped CrSi2

QIN Mingzhe... XIAO Qingquan*, HE Anna, ZHOU Shiyun and FENG Lei |Show fewer author(s)
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    References(36)

    [1] [1] Murarka S P. Silicides for VLSI Application[M].New York: Academic Press,1983:172-175.

              Murarka S P. Silicides for VLSI Application[M].New York: Academic Press,1983:172-175.

    [2] [2] Bost M C, Mahan J K. Summary Abstract:semiconducting silicides as potential materials for electro-optic very large scale integrated circuit interconnect[J].Journal of Vacuum Science & Technology B,1986,4(6):1336-1338.

              Bost M C, Mahan J K. Summary Abstract:semiconducting silicides as potential materials for electro-optic very large scale integrated circuit interconnect[J].Journal of Vacuum Science & Technology B,1986,4(6):1336-1338.

    [3] [3] Borisenko V E. Semiconducting Silicides[M].Berlin: Spinger-Verlag New York,LLC,2000.

              Borisenko V E. Semiconducting Silicides[M].Berlin: Spinger-Verlag New York,LLC,2000.

    [4] [4] Galkin N G, Velichko T A, Skeipka S V, et al. Semiconducting and structural porperties of CrSi2 A-type epttaxial films on Si(111)[J].Thin Solid Films,1996,280(1-2):211-220.

              Galkin N G, Velichko T A, Skeipka S V, et al. Semiconducting and structural porperties of CrSi2 A-type epttaxial films on Si(111)[J].Thin Solid Films,1996,280(1-2):211-220.

    [5] [5] Migas D B, Miglio L. Band-gap modigications of β-FeSi2 with lattice distortions corresponding to the epitaxial relationships on Si(111)[J]. Physical Review B,2000,62(16):11063-11070.

              Migas D B, Miglio L. Band-gap modigications of β-FeSi2 with lattice distortions corresponding to the epitaxial relationships on Si(111)[J]. Physical Review B,2000,62(16):11063-11070.

    [6] [6] Hiroki Nagai, Tomohisa Takamatsu1, Yoshihiko Iijima, et al. Improved thermoelectric performance from CrSi2 by Cu substitution into Si sites[J].Japanese Journal of Applied Physics,2018,57,121801.

              Hiroki Nagai, Tomohisa Takamatsu1, Yoshihiko Iijima, et al. Improved thermoelectric performance from CrSi2 by Cu substitution into Si sites[J].Japanese Journal of Applied Physics,2018,57,121801.

    [7] [7] Pandey Tribhuwan, Singh Abhishek K. Origin of enhanced thermoelectric properties of doped CrSi2[J].Rsc advances,2014(4):3482-3486.

              Pandey Tribhuwan, Singh Abhishek K. Origin of enhanced thermoelectric properties of doped CrSi2[J].Rsc advances,2014(4):3482-3486.

    [11] [11] Chen S B, Zhou S Y, Yan W J, et al. Effect of Fe and Ti substitution doping on magnetic property of monolayer CrSi2:a first-principle investigation[J]. Journal of Superconductuvuty and Novel Magnrtism,2019:1341-1346.

              Chen S B, Zhou S Y, Yan W J, et al. Effect of Fe and Ti substitution doping on magnetic property of monolayer CrSi2:a first-principle investigation[J]. Journal of Superconductuvuty and Novel Magnrtism,2019:1341-1346.

    [14] [14] Chen S B, Chen Y, Yan W J, et al. Magnetism and optical property of Mn-doped monolayer CrSi2 by first- principle study[J].Journal of Superconductivity and Novel Magnetism,2017,31(9):2759-2765.

              Chen S B, Chen Y, Yan W J, et al. Magnetism and optical property of Mn-doped monolayer CrSi2 by first- principle study[J].Journal of Superconductivity and Novel Magnetism,2017,31(9):2759-2765.

    [16] [16] Hou Q, R Gu, Chen Y B, et al. Enhancement of thermoelectric power factor in CrSi2 film via Si:B addition [J].Iniernational Journal of Modern Physics,2015.

              Hou Q, R Gu, Chen Y B, et al. Enhancement of thermoelectric power factor in CrSi2 film via Si:B addition [J].Iniernational Journal of Modern Physics,2015.

    [18] [18] Sindhu H S, Suresh D Kulkarni, Choudhary R J. Influence of cobalt doping on structure,optical and magnetic properties of spray pyrolysed nano structured ZnO films[J].Physica B:Physics of Condensed Matter,2019,572.

              Sindhu H S, Suresh D Kulkarni, Choudhary R J. Influence of cobalt doping on structure,optical and magnetic properties of spray pyrolysed nano structured ZnO films[J].Physica B:Physics of Condensed Matter,2019,572.

    [19] [19] Krijn, Eppenga. First-principles electronic structure and optical properties of CrSi2[J].Physical Review B,Condensed Matter,1991,44(16):9042-9044.

              Krijn, Eppenga. First-principles electronic structure and optical properties of CrSi2[J].Physical Review B,Condensed Matter,1991,44(16):9042-9044.

    [20] [20] Segall M D, Philip L J D, Probert M J, et al. First principles simulation:ideas,llustrations and the CASTEP code[J].Journal of Physics:Condense Matter, 2002,14:2717.

              Segall M D, Philip L J D, Probert M J, et al. First principles simulation:ideas,llustrations and the CASTEP code[J].Journal of Physics:Condense Matter, 2002,14:2717.

    [21] [21] Milman V, Refosn K, Clark S J, et al. Electron and vibrational spectroscopies using DFT,plane waves and pseudopotentials:CASTEP mplementation[J].Journal of Molecular Structure Theochem,2010,954:22.

              Milman V, Refosn K, Clark S J, et al. Electron and vibrational spectroscopies using DFT,plane waves and pseudopotentials:CASTEP mplementation[J].Journal of Molecular Structure Theochem,2010,954:22.

    [23] [23] Bin Ibrahim M A H, Mnmat M, June L W. BFGS method:a new search direction[J].Sains Malaysia,2014,43:1591.

              Bin Ibrahim M A H, Mnmat M, June L W. BFGS method:a new search direction[J].Sains Malaysia,2014,43:1591.

    [24] [24] Dai Y H. A Perfect Example for the BFGS Method[J].Math Program,2013,138:501.

              Dai Y H. A Perfect Example for the BFGS Method[J].Math Program,2013,138:501.

    [26] [26] Zhou S Y, Xie Q, Yan W J, et al. First-principle study on the electronic structure of stressed CrSi2 [J].Science in China,2009(1):76-81.

              Zhou S Y, Xie Q, Yan W J, et al. First-principle study on the electronic structure of stressed CrSi2 [J].Science in China,2009(1):76-81.

    [27] [27] Nishida I, Sakata T. Semiconducting properties of pure and Mn-doped chromium disilicides[J].Journal of Physics and Chemistry of Solids,1978,39(5):499.

              Nishida I, Sakata T. Semiconducting properties of pure and Mn-doped chromium disilicides[J].Journal of Physics and Chemistry of Solids,1978,39(5):499.

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    QIN Mingzhe, XIAO Qingquan, HE Anna, ZHOU Shiyun, FENG Lei. First-principles Calculation on Co Doped CrSi2[J]. Journal of Synthetic Crystals, 2020, 49(2): 229

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    Paper Information

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    Received: --

    Accepted: --

    Published Online: Jun. 15, 2020

    The Author Email: Qingquan XIAO (qqxiao@gzu.edu.cn)

    DOI:

    CSTR:32186.14.

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