메뉴 건너뛰기




Volumn 88, Issue 18, 2013, Pages

Theoretical study of the ground-state structures and properties of niobium hydrides under pressure

Author keywords

[No Author keywords available]

Indexed keywords


EID: 84887523479     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.88.184104     Document Type: Article
Times cited : (89)

References (67)
  • 1
    • 84983874565 scopus 로고
    • PSSABA 0031-8965 10.1002/pssa.2210110253
    • T. Skoskiewicz, Phys. Status Solidi A PSSABA 0031-8965 10.1002/pssa.2210110253 11, K123 (1972);
    • (1972) Phys. Status Solidi A , vol.11 , pp. 123
    • Skoskiewicz, T.1
  • 4
    • 3643076620 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.45.12405
    • B. M. Klein and R. E. Cohen, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.45.12405 45, 12405 (1992).
    • (1992) Phys. Rev. B , vol.45 , pp. 12405
    • Klein, B.M.1    Cohen, R.E.2
  • 6
    • 79960649499 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.106.237002
    • P. Baettig and E. Zurek, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.106.237002 106, 237002 (2011).
    • (2011) Phys. Rev. Lett. , vol.106 , pp. 237002
    • Baettig, P.1    Zurek, E.2
  • 7
    • 84859575064 scopus 로고    scopus 로고
    • 10.1002/chem.201103205
    • J. Hooper and E. Zurek, Chem.-Eur. J. 10.1002/chem.201103205 18, 5013 (2012).
    • (2012) Chem.-Eur. J. , vol.18 , pp. 5013
    • Hooper, J.1    Zurek, E.2
  • 17
    • 24544435110 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.50.1305
    • A. E. Carlsson and N. W. Ashcroft, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.50.1305 50, 1305 (1983).
    • (1983) Phys. Rev. Lett. , vol.50 , pp. 1305
    • Carlsson, A.E.1    Ashcroft, N.W.2
  • 18
    • 83455219536 scopus 로고    scopus 로고
    • JPCAFH 1089-5639 10.1021/jp2076148
    • X. F. Wang and L. Andrews, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp2076148 115, 14175 (2011).
    • (2011) J. Phys. Chem. A , vol.115 , pp. 14175
    • Wang, X.F.1    Andrews, L.2
  • 20
    • 84887511050 scopus 로고    scopus 로고
    • See Supplemental Material at http://link.aps.org/supplemental/10.1103/ PhysRevB.88.184104 for the characteristic Nb-H separations in molecules, the crystal structure, dynamical stability, electronic and superconducting properties, histograms of Nb-H, Nb-Nb, and H-H, and the detailed structure information.
  • 23
    • 36749017436 scopus 로고    scopus 로고
    • Dinitrogen cleavage by a diniobium tetrahydride complex: Formation of a nitride and its conversion into imide species
    • DOI 10.1002/anie.200703336
    • F. Akagi, T. Matsuo, and H. Kawaguchi, Angew. Chem., Int. Ed. 10.1002/anie.200703336 46, 8778 (2007). (Pubitemid 350207925)
    • (2007) Angewandte Chemie - International Edition , vol.46 , Issue.46 , pp. 8778-8781
    • Akagi, F.1    Matsuo, T.2    Kawaguchi, H.3
  • 24
    • 4243874769 scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.53.1586
    • K. M. Ho, H. J. Tao, and X. Y. Zhu, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.53.1586 53, 1586 (1984).
    • (1984) Phys. Rev. Lett. , vol.53 , pp. 1586
    • Ho, K.M.1    Tao, H.J.2    Zhu, X.Y.3
  • 29
    • 33947297496 scopus 로고
    • INOCAJ 0020-1669 10.1021/ic50089a013
    • J. J. Reilly and R. h. Wiseall, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic50089a013 9, 1678 (1970).
    • (1970) Inorg. Chem. , vol.9 , pp. 1678
    • Reilly, J.J.1    Wiseall, R.H.2
  • 31
    • 50549175398 scopus 로고
    • JINCAO 0022-1902 10.1016/0022-1902(61)80192-9
    • G. Brauer and H. Muller, J. Inorg. Nucl. Chem. JINCAO 0022-1902 10.1016/0022-1902(61)80192-9 17, 102 (1961).
    • (1961) J. Inorg. Nucl. Chem. , vol.17 , pp. 102
    • Brauer, G.1    Muller, H.2
  • 33
    • 77957558333 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.82.094116
    • Y. Wang, J. Lv, L. Zhu, and Y. Ma, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.82.094116 82, 094116 (2010).
    • (2010) Phys. Rev. B , vol.82 , pp. 094116
    • Wang, Y.1    Lv, J.2    Zhu, L.3    Ma, Y.4
  • 34
    • 84865796611 scopus 로고    scopus 로고
    • JCPSA6 0021-9606 10.1063/1.4746757
    • J. Lv, Y. Wang, L. Zhu, and Y. Ma, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.4746757 137, 084104 (2012).
    • (2012) J. Chem. Phys. , vol.137 , pp. 084104
    • Lv, J.1    Wang, Y.2    Zhu, L.3    Ma, Y.4
  • 35
    • 84863092739 scopus 로고    scopus 로고
    • CPHCBZ 0010-4655 10.1016/j.cpc.2012.05.008
    • Y. Wang, J. Lv, L. Zhu, and Y. Ma, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/j.cpc.2012.05.008 183, 2063 (2012).
    • (2012) Comput. Phys. Commun. , vol.183 , pp. 2063
    • Wang, Y.1    Lv, J.2    Zhu, L.3    Ma, Y.4
  • 37
    • 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. PRLTAO 0031-9007 10.1103/PhysRevLett.106.015503 106, 015503 (2011).
    • (2011) Phys. Rev. Lett. , vol.106 , pp. 015503
    • Lv, J.1    Wang, Y.2    Zhu, L.3    Ma, Y.4
  • 40
    • 2442537377 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.54.11169
    • G. Kresse and J. Furthmüler, Phys. Rev. B, 10.1103/PhysRevB.54.11169 54, 11169 (1996).
    • (1996) Phys. Rev. B , vol.54 , pp. 11169
    • Kresse, G.1    Furthmüler, J.2
  • 41
    • 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
  • 42
    • 1842816907 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.13.5188
    • H. J. Monkhorst and J. D. Pack, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.13.5188 13, 5188 (1976).
    • (1976) Phys. Rev. B , vol.13 , pp. 5188
    • Monkhorst, H.J.1    Pack, J.D.2
  • 43
    • 0041329260 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.78.4063
    • K. Parlinski, Z. Q. Li, and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.4063 78, 4063 (1997).
    • (1997) Phys. Rev. Lett. , vol.78 , pp. 4063
    • Parlinski, K.1    Li, Z.Q.2    Kawazoe, Y.3
  • 44
    • 55149100594 scopus 로고    scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.78.134106
    • A. Togo, F. Oba, and I. Tanaka, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.78.134106 78, 134106 (2008).
    • (2008) Phys. Rev. B , vol.78 , pp. 134106
    • Togo, A.1    Oba, F.2    Tanaka, I.3
  • 46
    • 0013036553 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.9.4733
    • P. B. Allen and R. Silberglitt, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.9.4733 9, 4733 (1974).
    • (1974) Phys. Rev. B , vol.9 , pp. 4733
    • Allen, P.B.1    Silberglitt, R.2
  • 47
    • 25044473556 scopus 로고
    • 10.1103/PhysRevB.6.2577
    • P. B. Allen, Phys. Rev. B 10.1103/PhysRevB.6.2577 6, 2577 (1972).
    • (1972) Phys. Rev. B , vol.6 , pp. 2577
    • Allen, P.B.1
  • 49
    • 0000310328 scopus 로고
    • PRBMDO 1098-0121 10.1103/PhysRevB.12.905
    • P. B. Allen and R. C. Dynes, Phys. Rev. B PRBMDO 1098-0121 10.1103/PhysRevB.12.905 12, 905 (1975).
    • (1975) Phys. Rev. B , vol.12 , pp. 905
    • Allen, P.B.1    Dynes, R.C.2
  • 52
    • 0020774702 scopus 로고
    • JUPSAU 0031-9015 10.1143/JPSJ.52.2102
    • A. Fukizawa and Y. Fukai, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.52.2102 52, 2102 (1983).
    • (1983) J. Phys. Soc. Jpn. , vol.52 , pp. 2102
    • Fukizawa, A.1    Fukai, Y.2
  • 57
    • 77955187016 scopus 로고    scopus 로고
    • 10.1103/PhysRevB.81.140104
    • Y. S. Yao and D. D. Klug, Phys. Rev. B 10.1103/PhysRevB.81.140104 81, 140104 (R) (2010).
    • (2010) Phys. Rev. B , vol.81 , pp. 140104
    • Yao, Y.S.1    Klug, D.D.2
  • 63
    • 68849132113 scopus 로고    scopus 로고
    • PRLTAO 0031-9007 10.1103/PhysRevLett.103.055503
    • Y. S. Yao, D. D. Klug, J. Sun, and R. Martonak, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.103.055503 103, 055503 (2009).
    • (2009) Phys. Rev. Lett. , vol.103 , pp. 055503
    • Yao, Y.S.1    Klug, D.D.2    Sun, J.3    Martonak, R.4


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.