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Volumn 85, Issue 20, 2012, Pages

Systematic search for low-enthalpy sp3 carbon allotropes using evolutionary metadynamics

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EID: 84861793557     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.85.201407     Document Type: Article
Times cited : (93)

References (32)
  • 3
    • 0026192636 scopus 로고
    • NATUAS 0028-0836 10.1038/352222a0
    • K. Tanigaki, Nature (London) NATUAS 0028-0836 10.1038/352222a0 352, 222 (1991).
    • (1991) Nature (London) , vol.352 , pp. 222
    • Tanigaki, K.1
  • 4
    • 0037421862 scopus 로고    scopus 로고
    • NATUAS 0028-0836 10.1038/421599b
    • T. Irifune, Nature (London) NATUAS 0028-0836 10.1038/421599b 421, 599 (2003).
    • (2003) Nature (London) , vol.421 , pp. 599
    • Irifune, T.1
  • 5
    • 21544462047 scopus 로고
    • SCIEAS 0036-8075 10.1126/science.140.3568.817
    • R. B. Aust and H. G. Drickamer, Science SCIEAS 0036-8075 10.1126/science.140.3568.817 140, 817 (1963).
    • (1963) Science , vol.140 , pp. 817
    • Aust, R.B.1    Drickamer, H.G.2
  • 7
    • 0001642317 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.40.993
    • Y. X. Zhao and I. L. Spain, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.40.993 40, 993 (1989).
    • (1989) Phys. Rev. B , vol.40 , pp. 993
    • Zhao, Y.X.1    Spain, I.L.2
  • 10
    • 33745634670 scopus 로고    scopus 로고
    • Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
    • DOI 10.1063/1.2210932
    • A. R. Oganov and C. W. Glass, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2210932 124, 244704 (2006). (Pubitemid 43993036)
    • (2006) Journal of Chemical Physics , vol.124 , Issue.24 , pp. 244704
    • Oganov, A.R.1    Glass, C.W.2
  • 12
    • 79951622245 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.106.075501
    • J.-T. Wang, C. Chen, and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.075501 106, 075501 (2011).
    • (2011) Phys. Rev. Lett. , vol.106 , pp. 075501
    • Wang, J.-T.1    Chen, C.2    Kawazoe, Y.3
  • 15
    • 84856752603 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.108.065501
    • M. Amsler, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.108. 065501 108, 065501 (2012).
    • (2012) Phys. Rev. Lett. , vol.108 , pp. 065501
    • Amsler, M.1
  • 17
    • 0040691721 scopus 로고    scopus 로고
    • SYMEDZ 0379-6779 10.1016/S0379-6779(97)81165-4
    • R. Baughman, A. Liu, C. Cui, and P. Schields, Synth. Met. SYMEDZ 0379-6779 10.1016/S0379-6779(97)81165-4 86, 2371 (1997).
    • (1997) Synth. Met. , vol.86 , pp. 2371
    • Baughman, R.1    Liu, A.2    Cui, C.3    Schields, P.4
  • 20
    • 80054752320 scopus 로고    scopus 로고
    • JTPHES 1063-7761 10.1134/S1063776111060173
    • V. Greshnyakov and E. Belenkov, JETP JTPHES 1063-7761 10.1134/S1063776111060173 113, 86 (2011).
    • (2011) JETP , vol.113 , pp. 86
    • Greshnyakov, V.1    Belenkov, E.2
  • 21
    • 84860370163 scopus 로고    scopus 로고
    • 1466-8033 10.1039/c2ce06642d
    • Q. Zhu, A. R. Oganov, and A. O. Lyakhov, CrystEngComm 1466-8033 10.1039/c2ce06642d 14, 3596 (2012) evolutionary metadynamics has been implemented into the uspex code, which is available at http://han.ess.sunysb. edu/~USPEX.
    • (2012) CrystEngComm , vol.14 , pp. 3596
    • Zhu, Q.1    Oganov, A.R.2    Lyakhov, A.O.3
  • 23
    • 0037458399 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.90.075503
    • R. Martonak, A. Laio, and M. Parrinello, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.075503 90, 075503 (2003).
    • (2003) Phys. Rev. Lett. , vol.90 , pp. 075503
    • Martonak, R.1    Laio, A.2    Parrinello, M.3
  • 26
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J. P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865 77, 3865 (1996).
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 27
    • 25744460922 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.50.17953
    • P. E. Blöchl, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.50. 17953 50, 17953 (1994).
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 28
    • 2442537377 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.54.11169
    • G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 29
    • 0011236321 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.59.1758
    • G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
    • (1999) Phys. Rev. B , vol.59 , pp. 1758
    • Kresse, G.1    Joubert, D.2
  • 31
    • 84861801169 scopus 로고    scopus 로고
    • See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.85.201407 for crystallographic data and the physical properties.
  • 32
    • 80053553748 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.84.092103
    • A. O. Lyakhov and A. R. Oganov, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.84.092103 84, 092103 (2011).
    • (2011) Phys. Rev. B , vol.84 , pp. 092103
    • Lyakhov, A.O.1    Oganov, A.R.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.