-
1
-
-
2342625958
-
-
E. Gregoryanz, C. Sanloup, M. Somayazulu, J. Badro, G. Fiquet, H. K. Mao, and R. J. Hemley, Nat. Mater. 3, 294 (2004). 10.1038/nmat1115
-
(2004)
Nat. Mater.
, vol.3
, pp. 294
-
-
Gregoryanz, E.1
Sanloup, C.2
Somayazulu, M.3
Badro, J.4
Fiquet, G.5
Mao, H.K.6
Hemley, R.J.7
-
3
-
-
25644435626
-
-
C. Z. Fan, L. L. Sun, Y. X. Wang, Z. J. Wei, R. P. Liu, S. Y. Zeng, and W. K. Wang, Chinese Phys. Lett. 22, 2637 (2005). 10.1088/0256-307X/22/10/050
-
(2005)
Chinese Phys. Lett.
, vol.22
, pp. 2637
-
-
Fan, C.Z.1
Sun, L.L.2
Wang, Y.X.3
Wei, Z.J.4
Liu, R.P.5
Zeng, S.Y.6
Wang, W.K.7
-
4
-
-
33645474086
-
-
S. K. R. Patil, S. V. Khare, B. R. Tuttle, J. K. Bording, and S. Kodambaka, Phys. Rev. B 73, 104118 (2006). 10.1103/PhysRevB.73.104118
-
(2006)
Phys. Rev. B
, vol.73
, pp. 104118
-
-
Patil, S.K.R.1
Khare, S.V.2
Tuttle, B.R.3
Bording, J.K.4
Kodambaka, S.5
-
5
-
-
33645737531
-
-
A. F. Young, J. A. Montoya, C. Sanloup, M. Lazzeri, E. Gregoryanz, and S. Scandolo, Phys. Rev. B 73, 153102 (2006). 10.1103/PhysRevB.73.153102
-
(2006)
Phys. Rev. B
, vol.73
, pp. 153102
-
-
Young, A.F.1
Montoya, J.A.2
Sanloup, C.3
Lazzeri, M.4
Gregoryanz, E.5
Scandolo, S.6
-
6
-
-
33644695361
-
-
J. C. Crowhurst, A. F. Goncharov, B. Sadigh, C. L. Evans, P. G. Morrall, J. L. Ferreira, and A. J. Nelson, Science 311, 1275 (2006). 10.1126/science.1121813
-
(2006)
Science
, vol.311
, pp. 1275
-
-
Crowhurst, J.C.1
Goncharov, A.F.2
Sadigh, B.3
Evans, C.L.4
Morrall, P.G.5
Ferreira, J.L.6
Nelson, A.J.7
-
8
-
-
33749475497
-
-
H. Gou, L. Hou, J. Zhang, G. Sun, L. Gao, and F. Gao, Appl. Phys. Lett. 89, 141910 (2006). 10.1063/1.2359434
-
(2006)
Appl. Phys. Lett.
, vol.89
, pp. 141910
-
-
Gou, H.1
Hou, L.2
Zhang, J.3
Sun, G.4
Gao, L.5
Gao, F.6
-
10
-
-
33646384594
-
-
A. F. Young, C. Sanloup, E. Gregoryanz, S. Scandolo, R. J. Hemley, and H. K. Mao, Phys. Rev. Lett. 96, 155501 (2006). 10.1103/PhysRevLett.96.155501
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 155501
-
-
Young, A.F.1
Sanloup, C.2
Gregoryanz, E.3
Scandolo, S.4
Hemley, R.J.5
Mao, H.K.6
-
11
-
-
38649103788
-
-
J. C. Crowhurst, A. F. Goncharov, B. Sadigh, J. M. Zaug, D. Aberg, Y. Meng, and V. B. Prakapenka, J. Mater. Res. 23, 1 (2008). 10.1557/JMR.2008.0027
-
(2008)
J. Mater. Res.
, vol.23
, pp. 1
-
-
Crowhurst, J.C.1
Goncharov, A.F.2
Sadigh, B.3
Zaug, J.M.4
Aberg, D.5
Meng, Y.6
Prakapenka, V.B.7
-
12
-
-
84892687073
-
-
K. Niwa, D. Dzivenko, K. Suzuki, R. Riedel, I. Troyan, M. Eremets, and M. Hasegawa, Inorg. Chem. 53, 697 (2014). 10.1021/ic402885k
-
(2014)
Inorg. Chem.
, vol.53
, pp. 697
-
-
Niwa, K.1
Dzivenko, D.2
Suzuki, K.3
Riedel, R.4
Troyan, I.5
Eremets, M.6
Hasegawa, M.7
-
13
-
-
40849137961
-
-
D. Aberg, B. Sadigh, J. Crowhurst, and A. F. Goncharov, Phys. Rev. Lett. 100, 095501 (2008). 10.1103/PhysRevLett.100.095501
-
(2008)
Phys. Rev. Lett.
, vol.100
, pp. 095501
-
-
Aberg, D.1
Sadigh, B.2
Crowhurst, J.3
Goncharov, A.F.4
-
14
-
-
33846103861
-
-
J. A. Montoya, A. D. Hernandez, C. Sanloup, E. Gregoryanz, and S. Scandolo, Appl. Phys. Lett. 90, 011909 (2007). 10.1063/1.2430631
-
(2007)
Appl. Phys. Lett.
, vol.90
, pp. 011909
-
-
Montoya, J.A.1
Hernandez, A.D.2
Sanloup, C.3
Gregoryanz, E.4
Scandolo, S.5
-
16
-
-
33846811130
-
-
Z. W. Chen, X. J. Guo, Z. Y. Liu, M. Z. Ma, Q. Jing, G. Li, X. Y. Zhang, L. X. Li, Q. Wang, Y. J. Tian, and R. P. Liu, Phys. Rev. B 75, 054103 (2007). 10.1103/PhysRevB.75.054103
-
(2007)
Phys. Rev. B
, vol.75
, pp. 054103
-
-
Chen, Z.W.1
Guo, X.J.2
Liu, Z.Y.3
Ma, M.Z.4
Jing, Q.5
Li, G.6
Zhang, X.Y.7
Li, L.X.8
Wang, Q.9
Tian, Y.J.10
Liu, R.P.11
-
17
-
-
33847314121
-
-
Z. J. Wu, X. F. Hao, X. J. Liu, and J. Meng, Phys. Rev. B 75, 054115 (2007). 10.1103/PhysRevB.75.054115
-
(2007)
Phys. Rev. B
, vol.75
, pp. 054115
-
-
Wu, Z.J.1
Hao, X.F.2
Liu, X.J.3
Meng, J.4
-
18
-
-
34548050447
-
-
Z. J. Wu, E. J. Zhao, H. P. Xiang, X. F. Hao, X. J. Liu, and J. Meng, Phys. Rev. B 76, 054115 (2007). 10.1103/PhysRevB.76.054115
-
(2007)
Phys. Rev. B
, vol.76
, pp. 054115
-
-
Wu, Z.J.1
Zhao, E.J.2
Xiang, H.P.3
Hao, X.F.4
Liu, X.J.5
Meng, J.6
-
19
-
-
77957596639
-
-
D. Aberg, P. Erhart, J. Crowhurst, J. M. Zaug, A. F. Goncharov, and B. Sadigh, Phys. Rev. B 82, 104116 (2010). 10.1103/PhysRevB.82.104116
-
(2010)
Phys. Rev. B
, vol.82
, pp. 104116
-
-
Aberg, D.1
Erhart, P.2
Crowhurst, J.3
Zaug, J.M.4
Goncharov, A.F.5
Sadigh, B.6
-
24
-
-
84861582353
-
-
G. Soto, Comput. Mater. Sci. 61, 1 (2012). 10.1016/j.commatsci.2012.03.056
-
(2012)
Comput. Mater. Sci.
, vol.61
, pp. 1
-
-
Soto, G.1
-
25
-
-
55049102271
-
-
S. K. R. Patil, N. S. Mangale, S. V. Khare, and S. Marsillac, Thin Solid Films 517, 824 (2008). 10.1016/j.tsf.2008.07.034
-
(2008)
Thin Solid Films
, vol.517
, pp. 824
-
-
Patil, S.K.R.1
Mangale, N.S.2
Khare, S.V.3
Marsillac, S.4
-
28
-
-
84884901784
-
-
S. Maintz, V. L. Deringer, A. L. Tchougreeff, and R. Dronskowski, J. Comput. Chem. 34, 2557 (2013). 10.1002/jcc.23424
-
(2013)
J. Comput. Chem.
, vol.34
, pp. 2557
-
-
Maintz, S.1
Deringer, V.L.2
Tchougreeff, A.L.3
Dronskowski, R.4
-
31
-
-
0035964807
-
-
H. W. Hugosson, U. Jansson, B. Johansson, and O. Eriksson, Science 293, 2434 (2001). 10.1126/science.1060512
-
(2001)
Science
, vol.293
, pp. 2434
-
-
Hugosson, H.W.1
Jansson, U.2
Johansson, B.3
Eriksson, O.4
-
34
-
-
0003987270
-
-
(Elsevier Science, Amsterdam), Chap. 3, Sec. 7 and Chap. 10, Sec. 5.
-
H. O. Pierson, Handbook of Refractory Carbides & Nitrides: Properties, Characteristics, Processing and Applications (Elsevier Science, Amsterdam, 1996), Chap. 3, Sec. 7 and Chap. 10, Sec. 5.
-
(1996)
Handbook of Refractory Carbides & Nitrides: Properties, Characteristics, Processing and Applications
-
-
Pierson, H.O.1
-
40
-
-
0042113153
-
-
W. Kohn and L. J. Sham, Phys. Rev. 140, A1133 (1965). 10.1103/PhysRev.140.A1133
-
(1965)
Phys. Rev.
, vol.140
, pp. A1133
-
-
Kohn, W.1
Sham, L.J.2
-
41
-
-
25744460922
-
-
P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50.17953
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953
-
-
Blöchl, P.E.1
-
43
-
-
23244460838
-
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 46, 6671 (1992). 10.1103/PhysRevB.46.6671
-
(1992)
Phys. Rev. B
, vol.46
, pp. 6671
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
44
-
-
0001622167
-
-
J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais, Phys. Rev. B 48, 4978 (1993). 10.1103/PhysRevB.48.4978
-
(1993)
Phys. Rev. B
, vol.48
, pp. 4978
-
-
Perdew, J.P.1
Chevary, J.A.2
Vosko, S.H.3
Jackson, K.A.4
Pederson, M.R.5
Singh, D.J.6
Fiolhais, C.7
-
45
-
-
84908045501
-
-
(accessed May 3)
-
The PAW and US-PP database, http://cms.mpi.univie.ac.at/vasp-workshop/slides/pseudoppdatabase.pdf (accessed May 3, 2014).
-
(2014)
The PAW and US-PP database
-
-
-
48
-
-
36149027186
-
-
F. Birch, Phys. Rev. 71, 809 (1947). 10.1103/PhysRev.71.809
-
(1947)
Phys. Rev.
, vol.71
, pp. 809
-
-
Birch, F.1
-
50
-
-
74149091142
-
-
E. J. Zhao, J. P. Wang, J. Meng, and Z. J. Wu, Comput. Mater. Sci. 47, 1064 (2010). 10.1016/j.commatsci.2009.12.011
-
(2010)
Comput. Mater. Sci.
, vol.47
, pp. 1064
-
-
Zhao, E.J.1
Wang, J.P.2
Meng, J.3
Wu, Z.J.4
-
51
-
-
0000179174
-
-
M. J. Mehl, J. E. Osburn, D. A. Papaconstantopoulos, and B. M. Klein, Phys. Rev. B 41, 10311 (1990). 10.1103/PhysRevB.41.10311
-
(1990)
Phys. Rev. B
, vol.41
, pp. 10311
-
-
Mehl, M.J.1
Osburn, J.E.2
Papaconstantopoulos, D.A.3
Klein, B.M.4
-
53
-
-
79959262851
-
-
X. Q. Chen, H. Y. Niu, D. Z. Li, and Y. Y. Li, Intermetallics 19, 1275 (2011). 10.1016/j.intermet.2011.03.026
-
(2011)
Intermetallics
, vol.19
, pp. 1275
-
-
Chen, X.Q.1
Niu, H.Y.2
Li, D.Z.3
Li, Y.Y.4
-
55
-
-
84892167954
-
-
Z. T. Y. Liu, X. Zhou, D. Gall, and S. V. Khare, Comput. Mater. Sci. 84, 365 (2014). 10.1016/j.commatsci.2013.12.038
-
(2014)
Comput. Mater. Sci.
, vol.84
, pp. 365
-
-
Liu, Z.T.Y.1
Zhou, X.2
Gall, D.3
Khare, S.V.4
-
56
-
-
84890737328
-
-
Z. T. Y. Liu, X. Zhou, S. V. Khare, and D. Gall, J. Phys.-Condens. Matter 26, 025404 (2014). 10.1088/0953-8984/26/2/025404
-
(2014)
J. Phys.-Condens. Matter
, vol.26
, pp. 025404
-
-
Liu, Z.T.Y.1
Zhou, X.2
Khare, S.V.3
Gall, D.4
-
60
-
-
84908045500
-
-
Bader Charge Analysis, (accessed May 3).
-
Bader Charge Analysis, http://theory.cm.utexas.edu/bader/ (accessed May 3, 2014).
-
(2014)
-
-
-
62
-
-
33947658923
-
-
E. Sanville, S. D. Kenny, R. Smith, and G. Henkelman, J. Comput. Chem. 28, 899 (2007). 10.1002/jcc.20575
-
(2007)
J. Comput. Chem.
, vol.28
, pp. 899
-
-
Sanville, E.1
Kenny, S.D.2
Smith, R.3
Henkelman, G.4
-
64
-
-
84908045499
-
-
Using the Bader analysis with the vasp code, (accessed May 3).
-
Using the Bader analysis with the vasp code, http://theory.cm.utexas.edu/bader/vasp.php (accessed May 3, 2014).
-
(2014)
-
-
-
68
-
-
0034906053
-
-
C. Stampfl, W. Mannstadt, R. Asahi, and A. J. Freeman, Phys. Rev. B 63, 155106 (2001). 10.1103/PhysRevB.63.155106
-
(2001)
Phys. Rev. B
, vol.63
, pp. 155106
-
-
Stampfl, C.1
Mannstadt, W.2
Asahi, R.3
Freeman, A.J.4
-
71
-
-
84908045498
-
-
See Supplemental Material at http://link.aps.org/supplemental/10.1103/PhysRevB.90.134102 for DOS figures of (Equation presented), (Equation presented). DOS figures of Group 4 and Group 10 pernitrides are also available with a short discussion of the transition between metallic and nonmetallic phases.
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