메뉴 건너뛰기




Volumn 109, Issue 7, 2012, Pages

Pressure-driven evolution of the covalent network in CaB 6

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AMBIENT PRESSURES; COVALENT NETWORK; EVOLUTIONARY SEARCH; HEXABORIDES; HIGH PRESSURE; PRESSURE-DRIVEN; SIMPLE CUBIC; UNIT CELLS;

EID: 84865217829     PISSN: 00319007     EISSN: 10797114     Source Type: Journal    
DOI: 10.1103/PhysRevLett.109.075501     Document Type: Article
Times cited : (69)

References (42)
  • 1
    • 33749052365 scopus 로고    scopus 로고
    • High-pressure structures and phase transformations in elemental metals
    • DOI 10.1039/b517777b
    • M.I. McMahon and R.J. Nelmes, Chem. Soc. Rev. 35, 943 (2006). CSRVBR 0306-0012 10.1039/b517777b (Pubitemid 44465579)
    • (2006) Chemical Society Reviews , vol.35 , Issue.10 , pp. 943-963
    • McMahon, M.I.1    Nelmes, R.J.2
  • 2
    • 77955007367 scopus 로고    scopus 로고
    • NMAACR 1476-1122 10.1038/nmat2796
    • C.J. Pickard and R.J. Needs, Nature Mater. 9, 624 (2010). NMAACR 1476-1122 10.1038/nmat2796
    • (2010) Nature Mater. , vol.9 , pp. 624
    • Pickard, C.J.1    Needs, R.J.2
  • 3
    • 33846287547 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.74.224507
    • A.N. Kolmogorov and S. Curtarolo, Phys. Rev. B 74, 224507 (2006). PRBMDO 1098-0121 10.1103/PhysRevB.74.224507
    • (2006) Phys. Rev. B , vol.74 , pp. 224507
    • Kolmogorov, A.N.1    Curtarolo, S.2
  • 4
    • 38549139481 scopus 로고    scopus 로고
    • Emergent reduction of electronic state dimensionality in dense ordered Li-Be alloys
    • DOI 10.1038/nature06442, PII NATURE06442
    • J. Feng, R.G. Hennig, N.W. Ashcroft, and R. Hoffmann, Nature (London) 451, 445 (2008). NATUAS 0028-0836 10.1038/nature06442 (Pubitemid 351158879)
    • (2008) Nature , vol.451 , Issue.7177 , pp. 445-448
    • Feng, J.1    Hennig, R.G.2    Ashcroft, N.W.3    Hoffmann, R.4
  • 5
    • 0013326485 scopus 로고    scopus 로고
    • NMAACR 1476-1122 10.1038/nmat716
    • P.F. McMillan, Nature Mater. 1, 19 (2002). NMAACR 1476-1122 10.1038/nmat716
    • (2002) Nature Mater. , vol.1 , pp. 19
    • McMillan, P.F.1
  • 11
    • 56749159245 scopus 로고    scopus 로고
    • NMAACR 1476-1122 10.1038/nmat2321
    • S.W. Woodley and R. Catlow, Nature Mater. 7, 937 (2008). NMAACR 1476-1122 10.1038/nmat2321
    • (2008) Nature Mater. , vol.7 , pp. 937
    • Woodley, S.W.1    Catlow, R.2
  • 12
    • 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
  • 13
    • 79960649499 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.106.237002
    • P. Baettig and E. Zurek, Phys. Rev. Lett. 106, 237002 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.106.237002
    • (2011) Phys. Rev. Lett. , vol.106 , pp. 237002
    • Baettig, P.1    Zurek, E.2
  • 14
    • 78651287027 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.106.015503
    • J. Lv, Y. Wang, L. Zhu, and Y. Ma, Phys. Rev. Lett. 106, 015503 (2011). PRLTAO 0031-9007 10.1103/PhysRevLett.106.015503
    • (2011) Phys. Rev. Lett. , vol.106 , pp. 015503
    • Lv, J.1    Wang, Y.2    Zhu, L.3    Ma, Y.4
  • 19
    • 2942653050 scopus 로고    scopus 로고
    • JAPIAU 0021-8979 10.1063/1.1667834
    • J.-S. Rhyee and B.K. Cho, J. Appl. Phys. 95, 6675 (2004). JAPIAU 0021-8979 10.1063/1.1667834
    • (2004) J. Appl. Phys. , vol.95 , pp. 6675
    • Rhyee, J.-S.1    Cho, B.K.2
  • 20
    • 84865230125 scopus 로고
    • DASABO 0366-8630
    • G. Allard, C.R. Acad. Sci. DASABO 0366-8630 T189, 108 (1929).
    • (1929) C.R. Acad. Sci. , vol.189 , pp. 108
    • Allard, G.1
  • 21
  • 25
    • 70349568754 scopus 로고    scopus 로고
    • JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
    • P. Giannozzi, J. Phys. Condens. Matter 21, 395502 (2009). JCOMEL 0953-8984 10.1088/0953-8984/21/39/395502
    • (2009) J. Phys. Condens. Matter , vol.21 , pp. 395502
    • Giannozzi, P.1
  • 26
    • 12844286241 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.47.558
    • G. Kresse and J. Hafner, Phys. Rev. B 47, 558 (1993); PRBMDO 0163-1829 10.1103/PhysRevB.47.558
    • (1993) Phys. Rev. B , vol.47 , pp. 558
    • Kresse, G.1    Hafner, J.2
  • 27
    • 2442537377 scopus 로고    scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
    • G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11169 (1996). PRBMDO 0163-1829 10.1103/PhysRevB.54.11169
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüller, J.2
  • 28
    • 25744460922 scopus 로고
    • PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
    • P.E. Blöchl, Phys. Rev. B 50, 17953 (1994). PRBMDO 0163-1829 10.1103/PhysRevB.50.17953
    • (1994) Phys. Rev. B , vol.50 , pp. 17953
    • Blöchl, P.E.1
  • 29
    • 4243943295 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • J.P. Perdew, K. Burke, and M. Ernzerhof, Phys. Rev. Lett. 77, 3865 (1996). PRLTAO 0031-9007 10.1103/PhysRevLett.77.3865
    • (1996) Phys. Rev. Lett. , vol.77 , pp. 3865
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 30
    • 70449134765 scopus 로고    scopus 로고
    • CPHCBZ 0010-4655 10.1016/j.cpc.2009.03.010
    • D. Alfè, Comput. Phys. Commun. 180, 2622 (2009). CPHCBZ 0010-4655 10.1016/j.cpc.2009.03.010
    • (2009) Comput. Phys. Commun. , vol.180 , pp. 2622
    • Alfè, D.1
  • 31
    • 84865230128 scopus 로고    scopus 로고
    • 6 polymorphs.
  • 32
    • 84858011952 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.108.107205
    • I. Popov, N. Baadji, and S. Sanvito, Phys. Rev. Lett. 108, 107205 (2012). PRLTAO 0031-9007 10.1103/PhysRevLett.108.107205
    • (2012) Phys. Rev. Lett. , vol.108 , pp. 107205
    • Popov, I.1    Baadji, N.2    Sanvito, S.3
  • 33
    • 84865223315 scopus 로고    scopus 로고
    • S. Shah and A.N. Kolmogorov (to be published).
    • S. Shah and A.N. Kolmogorov (to be published).
  • 34
    • 0033420716 scopus 로고    scopus 로고
    • ZAACAB 0044-2313 10.1002/(SICI)1521-3749(199907)625:7<1207::AID- ZAAC1207>3.0.CO;2-9
    • G. Mair, H.G. von Schnering1, M. Wörle, and R. Nesper, Z. Anorg. Allg. Chem. 625, 1207 (1999). ZAACAB 0044-2313 10.1002/(SICI)1521-3749(199907) 625:7<1207::AID-ZAAC1207>3.0.CO;2-9
    • (1999) Z. Anorg. Allg. Chem. , vol.625 , pp. 1207
    • Mair, G.1    Von Schnering, H.G.2    Wörle, M.3    Nesper, R.4
  • 37
    • 0004252284 scopus 로고
    • in edited by F.H. Allen et al. (International Union of Crystallography, Chester
    • G. Bergerhoff and I.D. Brown, in Crystallographic Databases, edited by, F.H. Allen, (International Union of Crystallography, Chester, 1987).
    • (1987) Crystallographic Databases
    • Bergerhoff, G.1    Brown, I.D.2
  • 38
    • 6344241177 scopus 로고    scopus 로고
    • JACGAR 0021-8898 10.1107/S0021889804014876
    • A. Boultif and D. Louër, J. Appl. Crystallogr. 37, 724 (2004). JACGAR 0021-8898 10.1107/S0021889804014876
    • (2004) J. Appl. Crystallogr. , vol.37 , pp. 724
    • Boultif, A.1    Louër, D.2
  • 40
    • 85028673133 scopus 로고    scopus 로고
    • JCOMEL 0953-8984 10.1088/0953-8984/19/35/355003
    • S. Souma and T. Takahashi, J. Phys. Condens. Matter 19, 355003 (2007). JCOMEL 0953-8984 10.1088/0953-8984/19/35/355003
    • (2007) J. Phys. Condens. Matter , vol.19 , pp. 355003
    • Souma, S.1    Takahashi, T.2
  • 41
    • 29744464079 scopus 로고    scopus 로고
    • Electronic structure of calcium hexaborides
    • DOI 10.1063/1.2150578, 262509
    • B. Lee and L.-W. Wang, Appl. Phys. Lett. 87, 262509 (2005). APPLAB 0003-6951 10.1063/1.2150578 (Pubitemid 43032037)
    • (2005) Applied Physics Letters , vol.87 , Issue.26 , pp. 1-3
    • Lee, B.1    Wang, L.-W.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.