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Volumn 90, Issue 5, 2014, Pages

Thermodynamically stable lithium silicides and germanides from density functional theory calculations

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EID: 84922796540     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.90.054111     Document Type: Article
Times cited : (83)

References (87)
  • 1
    • 84865120266 scopus 로고    scopus 로고
    • NATUAS 0028-0836 10.1038/nature11475
    • S. Chu and A. Majumdar, Nature (London) 488, 294 (2012). NATUAS 0028-0836 10.1038/nature11475
    • (2012) Nature (London) , vol.488 , pp. 294
    • Chu, S.1    Majumdar, A.2
  • 2
    • 84974665263 scopus 로고
    • JESOAN 0013-4651 10.1149/1.2133033
    • S. Lai, J. Electrochem. Soc. 123, 1196 (1976). JESOAN 0013-4651 10.1149/1.2133033
    • (1976) J. Electrochem. Soc. , vol.123 , pp. 1196
    • Lai, S.1
  • 3
    • 0019560649 scopus 로고
    • JSSCBI 0022-4596 10.1016/0022-4596(81)90487-4
    • C. J. Wen and R. A. Huggins, J. Solid State Chem. 37, 271 (1981). JSSCBI 0022-4596 10.1016/0022-4596(81)90487-4
    • (1981) J. Solid State Chem. , vol.37 , pp. 271
    • Wen, C.J.1    Huggins, R.A.2
  • 4
    • 0033184981 scopus 로고    scopus 로고
    • Room temperature study of the binary lithium-silicon and the ternary lithium-chromium-silicon system for use in rechargeable lithium batteries
    • DOI 10.1016/S0378-7753(99)00139-1
    • W. J. Weydanz, M. Wohlfahrt-Mehrens, and R. A. Huggins, J. Power Sources 81-82, 237 (1999). JPSODZ 0378-7753 10.1016/S0378-7753(99)00139-1 (Pubitemid 32077815)
    • (1999) Journal of Power Sources , vol.81 , pp. 237-242
    • Weydanz, W.J.1    Wohlfahrt-Mehrens, M.2    Huggins, R.A.3
  • 9
    • 33846996042 scopus 로고    scopus 로고
    • JESOAN 0013-4651 10.1149/1.2409862
    • J. Li and J. R. Dahn, J. Electrochem. Soc. 154, A156 (2007). JESOAN 0013-4651 10.1149/1.2409862
    • (2007) J. Electrochem. Soc. , vol.154
    • Li, J.1    Dahn, J.R.2
  • 10
    • 77958086138 scopus 로고    scopus 로고
    • ELCAAV 0013-4686 10.1016/j.electacta.2010.01.054
    • J. Y. Kwon, J. H. Ryu, and S. M. Oh, Electrochem. Acta 55, 8051 (2010). ELCAAV 0013-4686 10.1016/j.electacta.2010.01.054
    • (2010) Electrochem. Acta , vol.55 , pp. 8051
    • Kwon, J.Y.1    Ryu, J.H.2    Oh, S.M.3
  • 14
    • 73249131451 scopus 로고    scopus 로고
    • INOCAJ 0020-1669 10.1021/ic901674s
    • Y.-M. Kang, S.-B. Suh, and Y.-S. Kim, Inorg. Chem. 48, 11631 (2009). INOCAJ 0020-1669 10.1021/ic901674s
    • (2009) Inorg. Chem. , vol.48 , pp. 11631
    • Kang, Y.-M.1    Suh, S.-B.2    Kim, Y.-S.3
  • 20
    • 84902587253 scopus 로고    scopus 로고
    • JPSODZ 0378-7753 10.1016/j.jpowsour.2014.05.096
    • B. Liang, Y. Liu, and Y. Xu, J. Power Sources 267, 469 (2014). JPSODZ 0378-7753 10.1016/j.jpowsour.2014.05.096
    • (2014) J. Power Sources , vol.267 , pp. 469
    • Liang, B.1    Liu, Y.2    Xu, Y.3
  • 21
    • 77950858473 scopus 로고    scopus 로고
    • JALCEU 0925-8388 10.1016/j.jallcom.2010.01.142
    • V. L. Chevrier, J. Zwanziger, and J. R. Dahn, J. Alloy Compd. 496, 25 (2010). JALCEU 0925-8388 10.1016/j.jallcom.2010.01.142
    • (2010) J. Alloy Compd. , vol.496 , pp. 25
    • Chevrier, V.L.1    Zwanziger, J.2    Dahn, J.R.3
  • 28
    • 77950862027 scopus 로고    scopus 로고
    • 1547-7037 10.1007/s11669-008-9431-8
    • H. Okamoto, J. Phase Equilib. Diffus. 30, 118 (2009). 1547-7037 10.1007/s11669-008-9431-8
    • (2009) J. Phase Equilib. Diffus. , vol.30 , pp. 118
    • Okamoto, H.1
  • 33
    • 84899877455 scopus 로고    scopus 로고
    • JPSODZ 0378-7753 10.1016/j.jpowsour.2014.04.011
    • C.-Y. Chou and G. S. Hwang, J. Power Sources 263, 252 (2014). JPSODZ 0378-7753 10.1016/j.jpowsour.2014.04.011
    • (2014) J. Power Sources , vol.263 , pp. 252
    • Chou, C.-Y.1    Hwang, G.S.2
  • 40
    • 39349087536 scopus 로고    scopus 로고
    • Electrochemical characterizations of germanium and carbon-coated germanium composite anode for lithium-ion batteries
    • DOI 10.1149/1.2836481
    • S. Yoon, C.-M. Park, and H.-J. Sohn, Electrochem. Solid State Lett. 11, A42 (2008). ESLEF6 1099-0062 10.1149/1.2836481 (Pubitemid 351264031)
    • (2008) Electrochemical and Solid-State Letters , vol.11 , Issue.4
    • Yoon, S.1    Park, C.-M.2    Sohn, H.-J.3
  • 43
    • 2942609919 scopus 로고
    • ACCRA9 0365-110X 10.1107/S0365110X65000257
    • Q. Johnson, G. S. Smith, and D. Wood, Acta Crystallogr. 18, 131 (1965). ACCRA9 0365-110X 10.1107/S0365110X65000257
    • (1965) Acta Crystallogr. , vol.18 , pp. 131
    • Johnson, Q.1    Smith, G.S.2    Wood, D.3
  • 44
    • 0035860895 scopus 로고    scopus 로고
    • The true crystal structure of Li17M4 (M=Ge, Sn, Pb)-revised from Li22M5
    • DOI 10.1016/S0925-8388(01)01567-5, PII S0925838801015675
    • G. R. Goward, N. J. Taylor, D. C. S. Souza, and L. F. Nazar, J. Alloys Compd. 329, 82 (2001). JALCEU 0925-8388 10.1016/S0925-8388(01)01567-5 (Pubitemid 32950742)
    • (2001) Journal of Alloys and Compounds , vol.329 , Issue.1-2 , pp. 82-91
    • Goward, G.R.1    Taylor, N.J.2    Souza, D.C.S.3    Nazar, L.F.4
  • 46
    • 33746597118 scopus 로고    scopus 로고
    • High-pressure phases of silane
    • DOI 10.1103/PhysRevLett.97.045504
    • C. J. Pickard and R. J. Needs, Phys. Rev. Lett. 97, 045504 (2006). PRLTAO 0031-9007 10.1103/PhysRevLett.97.045504 (Pubitemid 44147322)
    • (2006) Physical Review Letters , vol.97 , Issue.4 , pp. 045504
    • Pickard, C.J.1    Needs, R.J.2
  • 47
    • 79551662789 scopus 로고    scopus 로고
    • JCOMEL 0953-8984 10.1088/0953-8984/23/5/053201
    • C. J. Pickard and R. J. Needs, J. Phys.: Condens. Matter 23, 053201 (2011). JCOMEL 0953-8984 10.1088/0953-8984/23/5/053201
    • (2011) J. Phys.: Condens. Matter , vol.23 , pp. 053201
    • Pickard, C.J.1    Needs, R.J.2
  • 49
    • 80053491854 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.84.094118
    • J. Mulroue, A. J. Morris, and D. M. Duffy, Phys. Rev. B. 84, 094118 (2011). PRBMDO 1098-0121 10.1103/PhysRevB.84.094118
    • (2011) Phys. Rev. B. , vol.84 , pp. 094118
    • Mulroue, J.1    Morris, A.J.2    Duffy, D.M.3
  • 51
    • 56349101851 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.78.184102
    • A. J. Morris, C. J. Pickard, and R. J. Needs, Phys. Rev. B 78, 184102 (2008). PRBMDO 1098-0121 10.1103/PhysRevB.78.184102
    • (2008) Phys. Rev. B , vol.78 , pp. 184102
    • Morris, A.J.1    Pickard, C.J.2    Needs, R.J.3
  • 52
    • 71449109548 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.80.144112
    • A. J. Morris, C. J. Pickard, and R. J. Needs, Phys. Rev. B 80, 144112 (2009). PRBMDO 1098-0121 10.1103/PhysRevB.80.144112
    • (2009) Phys. Rev. B , vol.80 , pp. 144112
    • Morris, A.J.1    Pickard, C.J.2    Needs, R.J.3
  • 58
    • 0004142546 scopus 로고
    • (Longmans, Green, London), pp.;
    • J. C. Maxwell, Theory of Heat (Longmans, Green, London, 1904), pp. 195-208;
    • (1904) Theory of Heat , pp. 195-208
    • Maxwell, J.C.1
  • 59
    • 84940338162 scopus 로고    scopus 로고
    • edited by P. M. Harman (Cambridge University Press, Cambridge), Vol. 3, pp..
    • Scientific Letters and Papers of J. C. Maxwell, edited by P. M. Harman (Cambridge University Press, Cambridge, 2002), Vol. 3, pp. 1874-1879.
    • (2002) Scientific Letters and Papers of J. C. Maxwell , pp. 1874-1879
  • 66
    • 0039584396 scopus 로고
    • CHBEAM 0009-2940 10.1002/cber.19861191207
    • R. Nesper, H. G. von Schnering, and J. Curda, Chem. Ber. 119, 3576 (1986). CHBEAM 0009-2940 10.1002/cber.19861191207
    • (1986) Chem. Ber. , vol.119 , pp. 3576
    • Nesper, R.1    Von Schnering, H.G.2    Curda, J.3
  • 69
    • 34250151726 scopus 로고
    • 10.1007/BF01590223
    • I. Barvík, Czech J. Phys. B 33, 1338 (1983). 10.1007/BF01590223
    • (1983) Czech J. Phys. B , vol.33 , pp. 1338
    • Barvík, I.1
  • 70
  • 71
    • 84940345984 scopus 로고    scopus 로고
    • Since the (Equation presented) model contains partially occupied Li sites, we extended the cell in the (Equation presented) direction, fully occupying four (Equation presented) and two (Equation presented) sites before optimizing the geometry using DFT.
    • Since the (Equation presented) model contains partially occupied Li sites, we extended the cell in the (Equation presented) direction, fully occupying four (Equation presented) and two (Equation presented) sites before optimizing the geometry using DFT.
  • 74
    • 0031165792 scopus 로고    scopus 로고
    • JPEQE6 1054-9714 10.1007/BF02647856
    • J. Sangster and A. D. Pelton, J. Phase Equilib. 18, 289 (1997). JPEQE6 1054-9714 10.1007/BF02647856
    • (1997) J. Phase Equilib. , vol.18 , pp. 289
    • Sangster, J.1    Pelton, A.D.2
  • 77
    • 79952042334 scopus 로고    scopus 로고
    • SSSCFJ 1293-2558 10.1016/j.solidstatesciences.2010.12.038
    • F. Kiefer and T. F. Fässler, Solid State Sci. 13, 636 (2011). SSSCFJ 1293-2558 10.1016/j.solidstatesciences.2010.12.038
    • (2011) Solid State Sci. , vol.13 , pp. 636
    • Kiefer, F.1    Fässler, T.F.2
  • 78
    • 0022696570 scopus 로고
    • Li8MgSi6, a Novel zintl compound containing quasi-aromatic si5 rings
    • DOI 10.1016/0022-4596(86)90232-X
    • R. Nesper, J. Curda, and H. G. von Schnering, J. Solid State Chem. 62, 199 (1986). JSSCBI 0022-4596 10.1016/0022-4596(86)90232-X (Pubitemid 16532582)
    • (1986) Journal of Solid State Chemistry , vol.62 , Issue.2 , pp. 199-206
    • Nesper, R.1    Curda, J.2    Von Schnering, H.G.3
  • 79
    • 5544250569 scopus 로고
    • JPCSAW 0022-3697 10.1016/0022-3697(57)90050-1
    • E. M. Pell, J. Phys. Chem. Solids 3, 74 (1957). JPCSAW 0022-3697 10.1016/0022-3697(57)90050-1
    • (1957) J. Phys. Chem. Solids , vol.3 , pp. 74
    • Pell, E.M.1
  • 80
    • 84940355886 scopus 로고    scopus 로고
    • Confusingly, Sangster and Pelton [70] report that Nesper [74] claim it is the (Equation presented) phase.
    • Confusingly, Sangster and Pelton [70] report that Nesper [74] claim it is the (Equation presented) phase.
  • 82
    • 1642537215 scopus 로고
    • C.,. PHRVAO 0031-899X 10.1103/PhysRev.72.245
    • C. S. Barret, Phys. Rev. 72, 245 (1947). PHRVAO 0031-899X 10.1103/PhysRev.72.245
    • (1947) Phys. Rev. , vol.72 , pp. 245
    • Barret, S.1
  • 86
    • 33845518500 scopus 로고    scopus 로고
    • Influence of the exchange screening parameter on the performance of screened hybrid functionals
    • DOI 10.1063/1.2404663
    • A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, J. Chem. Phys. 125, 224106 (2006). JCPSA6 0021-9606 10.1063/1.2404663 (Pubitemid 44927407)
    • (2006) Journal of Chemical Physics , vol.125 , Issue.22 , pp. 224106
    • Krukau, A.V.1    Vydrov, O.A.2    Izmaylov, A.F.3    Scuseria, G.E.4
  • 87
    • 27544457637 scopus 로고
    • JPCHAX 0022-3654 10.1021/j150564a013
    • A. Zalkin and W. J. Ramsey, J. Phys. Chem. 62, 689 (1958). JPCHAX 0022-3654 10.1021/j150564a013
    • (1958) J. Phys. Chem. , vol.62 , pp. 689
    • Zalkin, A.1    Ramsey, W.J.2


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