-
2
-
-
0022088465
-
-
JCOMAH 0022-5088 10.1016/0022-5088(86)90521-7
-
P. Burlet, J. Rossat-Mignod, S. Vuevel, O. Vogt, J. C. Spirlet, and J. Rebivant, J. Less-Common Met. JCOMAH 0022-5088 10.1016/0022-5088(86)90521-7 121, 121 (1986).
-
(1986)
J. Less-Common Met.
, vol.121
, pp. 121
-
-
Burlet, P.1
Rossat-Mignod, J.2
Vuevel, S.3
Vogt, O.4
Spirlet, J.C.5
Rebivant, J.6
-
4
-
-
68549087237
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.81.807
-
P. Santini, S. Carretta, G. Amoretti, R. Caciuffo, N. Magnani, and G. H. Lander, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.81.807 81, 807 (2009).
-
(2009)
Rev. Mod. Phys.
, vol.81
, pp. 807
-
-
Santini, P.1
Carretta, S.2
Amoretti, G.3
Caciuffo, R.4
Magnani, N.5
Lander, G.H.6
-
5
-
-
0017480209
-
-
1364-5021 10.1098/rspa.1977.0049
-
C. R. A. Catlow, Proc. Roy. Soc. Lond. A 1364-5021 10.1098/rspa.1977.0049 353, 533 (1977).
-
(1977)
Proc. Roy. Soc. Lond. A
, vol.353
, pp. 533
-
-
Catlow, C.R.A.1
-
7
-
-
0001258762
-
-
1364-2812 10.1080/01418639608240321
-
T. Petit, B. Morel, C. Lemaignan, A. Pasturel, and B. Bigot, Phil. Mag. B 1364-2812 10.1080/01418639608240321 73, 893 (1996).
-
(1996)
Phil. Mag. B
, vol.73
, pp. 893
-
-
Petit, T.1
Morel, B.2
Lemaignan, C.3
Pasturel, A.4
Bigot, B.5
-
8
-
-
0035444212
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.64.104107
-
J. P. Crocombette, F. Jollet, T. N. Le, and T. Petit, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.64.104107 64, 104107 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 104107
-
-
Crocombette, J.P.1
Jollet, F.2
Le, T.N.3
Petit, T.4
-
9
-
-
27744439715
-
Point defects in uranium dioxide: Ab initio pseudopotential approach in the generalized gradient approximation
-
DOI 10.1016/j.jnucmat.2005.07.003, PII S0022311505003648
-
M. Freyss, T. Petit, and J. P. Crocombette, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2005.07.003 347, 44 (2005). (Pubitemid 41606885)
-
(2005)
Journal of Nuclear Materials
, vol.347
, Issue.1-2
, pp. 44-51
-
-
Freyss, M.1
Petit, T.2
Crocombette, J.-P.3
-
10
-
-
33846313200
-
First-principles calculation of point defects in uranium dioxide
-
DOI 10.2320/matertrans.47.2651
-
M. Iwasawa, Y. Chen, Y. Kaneta, T. Ohnuma, H. Y. Geng, and M. Kinoshita, Mater. Trans. 1345-9678 10.2320/matertrans.47.2651 47, 2651 (2006). (Pubitemid 46115902)
-
(2006)
Materials Transactions
, vol.47
, Issue.11
, pp. 2651-2657
-
-
Iwasawa, M.1
Chen, Y.2
Kaneta, Y.3
Ohnuma, T.4
Geng, H.-Y.5
Kinoshita, M.6
-
11
-
-
34249102935
-
Correlation effects and energetics of point defects in uranium dioxide: A first principle investigation
-
DOI 10.1080/14786430701235814, PII 778835664
-
F. Gupta, G. Brillant, and A. Pasturel, Philos. Mag. PHMAA4 1478-6435 10.1080/14786430701235814 87, 2561 (2007). (Pubitemid 46795146)
-
(2007)
Philosophical Magazine
, vol.87
, Issue.17
, pp. 2561-2569
-
-
Gupta, F.1
Brillant, G.2
Pasturel, A.3
-
12
-
-
41549164363
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.77.104120
-
H. Y. Geng, Y. Chen, Y. Kaneta, M. Iwasawa, T. Ohnuma, and M. Kinoshita, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.77.104120 77, 104120 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 104120
-
-
Geng, H.Y.1
Chen, Y.2
Kaneta, Y.3
Iwasawa, M.4
Ohnuma, T.5
Kinoshita, M.6
-
14
-
-
57849154055
-
-
JNUMAM 0022-3115 10.1016/j.jnucmat.2008.10.003
-
P. Nerikar, T. Watanabe, J. S. Tulenko, S. R. Phillpot, and S. B. Sinnott, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2008.10.003 384, 61 (2009).
-
(2009)
J. Nucl. Mater.
, vol.384
, pp. 61
-
-
Nerikar, P.1
Watanabe, T.2
Tulenko, J.S.3
Phillpot, S.R.4
Sinnott, S.B.5
-
15
-
-
77956659843
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.82.035114
-
B. Dorado, G. Jomard, M. Freyss, and M. Bertolus, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.82.035114 82, 035114 (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 035114
-
-
Dorado, B.1
Jomard, G.2
Freyss, M.3
Bertolus, M.4
-
19
-
-
33846401134
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.75.045114
-
P. Larson, W. R. L. Lambrecht, A. Chantis, and M. van Schilfgaarde, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.75.045114 75, 045114 (2007).
-
(2007)
Phys. Rev. B
, vol.75
, pp. 045114
-
-
Larson, P.1
Lambrecht, W.R.L.2
Chantis, A.3
Van Schilfgaarde, M.4
-
20
-
-
67650115011
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.79.235125
-
B. Dorado, B. Amadon, M. Freyss, and M. Bertolus, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.79.235125 79, 235125 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 235125
-
-
Dorado, B.1
Amadon, B.2
Freyss, M.3
Bertolus, M.4
-
23
-
-
33644900724
-
Exact exchange for correlated electrons
-
DOI 10.1002/pssb.200541371
-
P. Novak, J. Kuneá, L. Chaput, and W. Pickett, Physica Status Solidi B 0370-1972 10.1002/pssb.200541371 243, 563 (2006). (Pubitemid 43382804)
-
(2006)
Physica Status Solidi (B) Basic Research
, vol.243
, Issue.3
, pp. 563-572
-
-
Novak, P.1
Kunes, J.2
Chaput, L.3
Pickett, W.E.4
-
24
-
-
33749832261
-
Hybrid exchange-correlation energy functionals for strongly correlated electrons: Applications to transition-metal monoxides
-
DOI 10.1103/PhysRevB.74.155108
-
F. Tran, P. Blaha, K. Schwarz, and P. Novak, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.74.155108 74, 155108 (2006). (Pubitemid 44564643)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.74
, Issue.15
, pp. 155108
-
-
Tran, F.1
Blaha, P.2
Schwarz, K.3
Novak, P.4
-
25
-
-
77954720435
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.80.235109
-
F. Jollet, G. Jomard, B. Amadon, J. P. Crocombette, and D. Torumba, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.80.235109 80, 235109 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 235109
-
-
Jollet, F.1
Jomard, G.2
Amadon, B.3
Crocombette, J.P.4
Torumba, D.5
-
26
-
-
40249084164
-
Implementation of the projector augmented-wave method in the ABINIT code: Application to the study of iron under pressure
-
DOI 10.1016/j.commatsci.2007.07.020, PII S0927025607002108
-
M. Torrent, F. Jollet, F. Bottin, G. Zerah, and X. Gonze, Comput. Mater. Sci. 0927-0256 10.1016/j.commatsci.2007.07.020 42, 337 (2008). (Pubitemid 351335267)
-
(2008)
Computational Materials Science
, vol.42
, Issue.2
, pp. 337-351
-
-
Torrent, M.1
Jollet, F.2
Bottin, F.3
Zerah, G.4
Gonze, X.5
-
27
-
-
20144367100
-
A brief introduction to the ABINIT software package
-
DOI 10.1524/zkri.220.5.558.65066
-
X. Gonze, Z. Kristallogr. ZEKRDZ 0044-2968 10.1524/zkri.220.5.558.65066 220, 558 (2005). (Pubitemid 40778240)
-
(2005)
Zeitschrift fur Kristallographie
, vol.220
, Issue.5-6
, pp. 558-562
-
-
Gonze, X.1
Rignanese, G.-M.2
Verstraete, M.3
Beuken, J.-M.4
Pouillon, Y.5
Caracas, R.6
Jollet, F.7
Torrent, M.8
Zerah, G.9
Mikami, M.10
Ghosez, P.11
Veithen, M.12
Raty, J.-Y.13
Olevano, V.14
Bruneval, F.15
Reining, L.16
Godby, R.17
Onida, G.18
Hamann, D.R.19
Allan, D.C.20
more..
-
28
-
-
70449533121
-
-
0010-4655 10.1016/j.cpc.2009.07.007
-
X. Gonze, Comput. Phys. Commun. 0010-4655 10.1016/j.cpc.2009.07.007 180, 2582 (2009).
-
(2009)
Comput. Phys. Commun.
, vol.180
, pp. 2582
-
-
Gonze, X.1
-
29
-
-
0035871363
-
A Projector Augmented Wave (PAW) code for electronic structure calculations, Part I: atompaw for generating atom-centered functions
-
DOI 10.1016/S0010-4655(00)00244-7, PII S0010465500002447
-
N. A. W. Holzwarth, A. R. Tackett, and G. E. Matthews, Comput. Phys. Commun. CPHCBZ 0010-4655 10.1016/S0010-4655(00)00244-7 135, 329 (2001). (Pubitemid 32331242)
-
(2001)
Computer Physics Communications
, vol.135
, Issue.3
, pp. 329-347
-
-
Holzwarth, N.A.W.1
Tackett, A.R.2
Matthews, G.E.3
-
31
-
-
0000284436
-
-
JCPSA6 0021-9606 10.1063/1.478401
-
M. Ernzerhof and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.478401 110, 5029 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 5029
-
-
Ernzerhof, M.1
Scuseria, G.E.2
-
32
-
-
41549136449
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.77.155104
-
B. Amadon, F. Jollet, and M. Torrent, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.77.155104 77, 155104 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 155104
-
-
Amadon, B.1
Jollet, F.2
Torrent, M.3
-
33
-
-
50949117535
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.78.075125
-
G. Jomard, B. Amadon, F. Bottin, and M. Torrent, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.78.075125 78, 075125 (2008).
-
(2008)
Phys. Rev. B
, vol.78
, pp. 075125
-
-
Jomard, G.1
Amadon, B.2
Bottin, F.3
Torrent, M.4
-
34
-
-
37649026777
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.70.014113
-
M. Idiri, T. Le Bihan, S. Heathman, and J. Rebizant, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.70.014113 70, 014113 (2004).
-
(2004)
Phys. Rev. B
, vol.70
, pp. 014113
-
-
Idiri, M.1
Le Bihan, T.2
Heathman, S.3
Rebizant, J.4
-
35
-
-
0000433922
-
-
SSCOA4 0038-1098 10.1016/0038-1098(80)91210-7
-
Y. Baer and J. Schoenes, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(80)91210-7 33, 885 (1980).
-
(1980)
Solid State Commun.
, vol.33
, pp. 885
-
-
Baer, Y.1
Schoenes, J.2
-
36
-
-
0017942217
-
-
JAPIAU 0021-8979 10.1063/1.324978
-
J. Schoenes, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.324978 49, 1463 (1978).
-
(1978)
J. Appl. Phys.
, vol.49
, pp. 1463
-
-
Schoenes, J.1
-
37
-
-
79551614224
-
-
JNUMAM 0022-3115 10.1016/j.jnucmat.2010.02.019
-
P. Garcia, M. Fraczkiewicz, C. Davoisne, G. Carlot, B. Pasquet, G. Baldinozzi, D. Simeone, and C. Petot, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2010.02.019 400, 112 (2010).
-
(2010)
J. Nucl. Mater.
, vol.400
, pp. 112
-
-
Garcia, P.1
Fraczkiewicz, M.2
Davoisne, C.3
Carlot, G.4
Pasquet, B.5
Baldinozzi, G.6
Simeone, D.7
Petot, C.8
-
39
-
-
77957598051
-
-
PLRBAQ 1098-0121 10.1103/PhysRevB.82.094106
-
H. Y. Geng, Y. Chen, Y. Kaneta, M. Kinoshita, and Q. Wu, Phys. Rev. B PLRBAQ 1098-0121 10.1103/PhysRevB.82.094106 82, 094106 (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 094106
-
-
Geng, H.Y.1
Chen, Y.2
Kaneta, Y.3
Kinoshita, M.4
Wu, Q.5
-
40
-
-
79961145066
-
-
Canadian Report AECL-2585
-
Hj. Matzke, Canadian Report AECL-2585, 1966 (unpublished).
-
(1966)
-
-
Matzke, Hj.1
-
41
-
-
0001212424
-
-
JNUMAM 0022-3115 10.1016/0022-3115(66)90138-3
-
A. B. Lidiard, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/0022-3115(66) 90138-3 19, 106 (1966).
-
(1966)
J. Nucl. Mater.
, vol.19
, pp. 106
-
-
Lidiard, A.B.1
-
45
-
-
44349148478
-
-
1098-0121 10.1103/PhysRevB.77.180101
-
H. Y. Geng, Y. Chen, Y. Kaneta, and M. Kinoshita, Phys. Rev. B 1098-0121 10.1103/PhysRevB.77.180101 77, 180101 (R) (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 180101
-
-
Geng, H.Y.1
Chen, Y.2
Kaneta, Y.3
Kinoshita, M.4
-
46
-
-
31544475416
-
2.01 composition range
-
DOI 10.1016/j.jnucmat.2005.09.001, PII S0022311505004277
-
M. Baichi, C. Chatillon, G. Ducros, and F. K, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2005.09.001 349, 17 (2006). (Pubitemid 43163609)
-
(2006)
Journal of Nuclear Materials
, vol.349
, Issue.1-2
, pp. 17-56
-
-
Baichi, M.1
Chatillon, C.2
Ducros, G.3
Froment, K.4
-
47
-
-
31544433689
-
2+x composition range
-
DOI 10.1016/j.jnucmat.2005.10.001, PII S0022311505004587
-
M. Baichi, C. Chatillon, G. Ducros, and F. K, J. Nucl. Mater. JNUMAM 0022-3115 10.1016/j.jnucmat.2005.10.001 349, 57 (2006). (Pubitemid 43163610)
-
(2006)
Journal of Nuclear Materials
, vol.349
, Issue.1-2
, pp. 57-82
-
-
Baichi, M.1
Chatillon, C.2
Ducros, G.3
Froment, K.4
-
48
-
-
4143083087
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.52.1238
-
K. Clausen, W. Hayes, J. E. Macdonald, R. Osborn, and M. T. Hutchings, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.52.1238 52, 1238 (1984).
-
(1984)
Phys. Rev. Lett.
, vol.52
, pp. 1238
-
-
Clausen, K.1
Hayes, W.2
MacDonald, J.E.3
Osborn, R.4
Hutchings, M.T.5
|