-
1
-
-
0037882103
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.67.125109
-
A. Filippetti and N. A. Spaldin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.67.125109 67, 125109 (2003).
-
(2003)
Phys. Rev. B
, vol.67
, pp. 125109
-
-
Filippetti, A.1
Spaldin, N.A.2
-
2
-
-
10644250257
-
-
PRVBAK 0096-8269 10.1103/PhysRev.136.B864
-
P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964).
-
(1964)
Phys. Rev.
, vol.136
, pp. 864
-
-
Hohenberg, P.1
Kohn, W.2
-
3
-
-
0012597289
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.52.997
-
E. Runge and E. K. U. Gross, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.52.997 52, 997 (1984).
-
(1984)
Phys. Rev. Lett.
, vol.52
, pp. 997
-
-
Runge, E.1
Gross, E.K.U.2
-
4
-
-
24144463778
-
-
JCPSA6 0021-9606 10.1063/1.1904565
-
J. P. Perdew, A. Ruzsinsky, J. Tao, V. N. Staroverov, G. E. Scuseria, and G. I. Csonka, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1904565 123, 062201 (2005).
-
(2005)
J. Chem. Phys.
, vol.123
, pp. 062201
-
-
Perdew, J.P.1
Ruzsinsky, A.2
Tao, J.3
Staroverov, V.N.4
Scuseria, G.E.5
Csonka, G.I.6
-
5
-
-
0042113153
-
-
PRVAAH 0096-8250 10.1103/PhysRev.140.A1133
-
W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
-
(1965)
Phys. Rev.
, vol.140
, pp. 1133
-
-
Kohn, W.1
Sham, L.J.2
-
6
-
-
0033246389
-
-
RMPHAT 0034-6861 10.1103/RevModPhys.71.1085
-
S. Goedecker, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.71.1085 71, 1085 (1999).
-
(1999)
Rev. Mod. Phys.
, vol.71
, pp. 1085
-
-
Goedecker, S.1
-
7
-
-
0001102705
-
-
CMMSEM 0927-0256 10.1016/S0927-0256(98)00027-5
-
P. Ordejón, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/S0927-0256(98)00027-5 12, 157 (1998).
-
(1998)
Comput. Mater. Sci.
, vol.12
, pp. 157
-
-
Ordejón, P.1
-
10
-
-
15444366598
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.71.035105
-
M. Cococcioni and S. de Gironcoli, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.035105 71, 035105 (2005).
-
(2005)
Phys. Rev. B
, vol.71
, pp. 035105
-
-
Cococcioni, M.1
De Gironcoli, S.2
-
12
-
-
3242885925
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.55.1665
-
J. P. Perdew, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.55. 1665 55, 1665 (1985).
-
(1985)
Phys. Rev. Lett.
, vol.55
, pp. 1665
-
-
Perdew, J.P.1
-
13
-
-
0003838470
-
-
edited by V. Van Doren, C. Van Alsenoy, and P. Geerlings (AIP, Melville, NY
-
J. P. Perdew and K. Schmidt, in Density Functional Theory and Its Applications to Materials, edited by, V. Van Doren,,, C. Van Alsenoy,, and, P. Geerlings, (AIP, Melville, NY, 2001).
-
(2001)
Density Functional Theory and Its Applications to Materials
-
-
Perdew, J.P.1
Schmidt, K.2
-
15
-
-
0242593713
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.91.146401
-
J. Tao, J. P. Perdew, V. N. Staroverov, and G. E. Scuseria, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.146401 91, 146401 (2003).
-
(2003)
Phys. Rev. Lett.
, vol.91
, pp. 146401
-
-
Tao, J.1
Perdew, J.P.2
Staroverov, V.N.3
Scuseria, G.E.4
-
16
-
-
26144450583
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.23.5048
-
J. P. Perdew and A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.23.5048 23, 5048 (1981).
-
(1981)
Phys. Rev. B
, vol.23
, pp. 5048
-
-
Perdew, J.P.1
Zunger, A.2
-
17
-
-
0001285201
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.15.2858
-
H. B. Shore, J. H. Rose, and E. Zaremba, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.15.2858 15, 2858 (1977).
-
(1977)
Phys. Rev. B
, vol.15
, pp. 2858
-
-
Shore, H.B.1
Rose, J.H.2
Zaremba, E.3
-
18
-
-
26144461772
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.30.4734
-
K. Terakura, T. Oguchi, A. R. Williams, and J. Kübler, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.30.4734 30, 4734 (1984).
-
(1984)
Phys. Rev. B
, vol.30
, pp. 4734
-
-
Terakura, K.1
Oguchi, T.2
Williams, A.R.3
Kübler, J.4
-
19
-
-
0000058492
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.18.7165
-
J. F. Janak, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.18.7165 18, 7165 (1978).
-
(1978)
Phys. Rev. B
, vol.18
, pp. 7165
-
-
Janak, J.F.1
-
20
-
-
0001132752
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.49.1691
-
J. P. Perdew, R. G. Parr, M. Levy, and J. L. Balduz, Jr., Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.49.1691 49, 1691 (1982);
-
(1982)
Phys. Rev. Lett.
, vol.49
, pp. 1691
-
-
Perdew, J.P.1
Parr, R.G.2
Levy, M.3
Balduz Jr., J.L.4
-
21
-
-
3343011193
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.51.1884
-
J. P. Perdew and M. Levy, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.51.1884 51, 1884 (1983).
-
(1983)
Phys. Rev. Lett.
, vol.51
, pp. 1884
-
-
Perdew, J.P.1
Levy, M.2
-
22
-
-
0000812676
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.56.16021
-
J. P. Perdew and M. Levy, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.16021 56, 16021 (1997).
-
(1997)
Phys. Rev. B
, vol.56
, pp. 16021
-
-
Perdew, J.P.1
Levy, M.2
-
23
-
-
0000926672
-
-
edited by R. M. Dreizler and J. da Providencia (Plenum, New York
-
J. P. Perdew, in Density Functional Methods in Physics, edited by, R. M. Dreizler, and, J. da Providencia, (Plenum, New York, 1985), p. 265.
-
(1985)
Density Functional Methods in Physics
, pp. 265
-
-
Perdew, J.P.1
-
24
-
-
28844456517
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.95.146402
-
C. Toher, A. Filippetti, S. Sanvito, and K. Burke, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.146402 95, 146402 (2005).
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 146402
-
-
Toher, C.1
Filippetti, A.2
Sanvito, S.3
Burke, K.4
-
26
-
-
0001572490
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.54.5495
-
D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.5495 54, 5495 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 5495
-
-
Vogel, D.1
Krüger, P.2
Pollmann, J.3
-
27
-
-
0642304962
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.55.12836
-
D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.55.12836 55, 12836 (1996).
-
(1996)
Phys. Rev. B
, vol.55
, pp. 12836
-
-
Vogel, D.1
Krüger, P.2
Pollmann, J.3
-
28
-
-
0000678973
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.58.3865
-
D. Vogel, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.58.3865 58, 3865 (1998).
-
(1998)
Phys. Rev. B
, vol.58
, pp. 3865
-
-
Vogel, D.1
Krüger, P.2
Pollmann, J.3
-
29
-
-
0037171091
-
-
JCOMEL 0953-8984
-
J. M. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sanchez-Portal, J. Phys.: Condens. Matter JCOMEL 0953-8984 14, 2745 (2002).
-
(2002)
J. Phys.: Condens. Matter
, vol.14
, pp. 2745
-
-
Soler, J.M.1
Artacho, E.2
Gale, J.D.3
García, A.4
Junquera, J.5
Ordejón, P.6
Sanchez-Portal, D.7
-
30
-
-
0018605084
-
-
PNASA6 0027-8424 10.1073/pnas.76.12.6062
-
M. Levy, Proc. Natl. Acad. Sci. U.S.A. PNASA6 0027-8424 10.1073/pnas.76.12.6062 76, 6062 (1979).
-
(1979)
Proc. Natl. Acad. Sci. U.S.A.
, vol.76
, pp. 6062
-
-
Levy, M.1
-
31
-
-
3242774083
-
-
JPAMA4 0022-3700 10.1088/0022-3700/16/12/006
-
J. G. Harrison, R. A. Heaton, and C. C. Lin, J. Phys. B JPAMA4 0022-3700 10.1088/0022-3700/16/12/006 16, 2079 (1983).
-
(1983)
J. Phys. B
, vol.16
, pp. 2079
-
-
Harrison, J.G.1
Heaton, R.A.2
Lin, C.C.3
-
34
-
-
0000858766
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.55.1765
-
S. Goedecker and C. J. Umrigar, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.55.1765 55, 1765 (1997).
-
(1997)
Phys. Rev. a
, vol.55
, pp. 1765
-
-
Goedecker, S.1
Umrigar, C.J.2
-
35
-
-
9744225109
-
-
JCPSA6 0021-9606 10.1063/1.1794633
-
O. A. Vydrov and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1794633 121, 8187 (2004).
-
(2004)
J. Chem. Phys.
, vol.121
, pp. 8187
-
-
Vydrov, O.A.1
Scuseria, G.E.2
-
36
-
-
18844417130
-
-
JCPSA6 0021-9606 10.1063/1.1897378
-
O. A. Vydrov and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1897378 122, 184107 (2005).
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 184107
-
-
Vydrov, O.A.1
Scuseria, G.E.2
-
37
-
-
0842265494
-
-
MOPHAM 0026-8976 10.1080/0026897031000094506
-
S. Kümmel and J. P. Perdew, Mol. Phys. MOPHAM 0026-8976 10.1080/0026897031000094506 101, 1363 (2003).
-
(2003)
Mol. Phys.
, vol.101
, pp. 1363
-
-
Kümmel, S.1
Perdew, J.P.2
-
38
-
-
11944252202
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.45.101
-
J. B. Krieger, Y. Li, and G. J. Iafrate, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.45.101 45, 101 (1992).
-
(1992)
Phys. Rev. a
, vol.45
, pp. 101
-
-
Krieger, J.B.1
Li, Y.2
Iafrate, G.J.3
-
41
-
-
0001402577
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.60.3633
-
Y. H. Kim, M. Stadele, and R. M. Martin, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.60.3633 60, 3633 (1999).
-
(1999)
Phys. Rev. a
, vol.60
, pp. 3633
-
-
Kim, Y.H.1
Stadele, M.2
Martin, R.M.3
-
42
-
-
0000647997
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.28.5992
-
R. A. Heaton, J. G. Harrison, and C. C. Lin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.28.5992 28, 5992 (1983).
-
(1983)
Phys. Rev. B
, vol.28
, pp. 5992
-
-
Heaton, R.A.1
Harrison, J.G.2
Lin, C.C.3
-
43
-
-
0347581921
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.65.1148
-
A. Svane and O. Gunnarsson, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.65.1148 65, 1148 (1990).
-
(1990)
Phys. Rev. Lett.
, vol.65
, pp. 1148
-
-
Svane, A.1
Gunnarsson, O.2
-
44
-
-
4243280418
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.68.1900
-
A. Svane, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.68.1900 68, 1900 (1992).
-
(1992)
Phys. Rev. Lett.
, vol.68
, pp. 1900
-
-
Svane, A.1
-
45
-
-
0000364947
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.51.1477
-
M. Arai and T. Fujiwara, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.51.1477 51, 1477 (1995).
-
(1995)
Phys. Rev. B
, vol.51
, pp. 1477
-
-
Arai, M.1
Fujiwara, T.2
-
49
-
-
3342924790
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.72.1248
-
A. Svane, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.72.1248 72, 1248 (1994);
-
(1994)
Phys. Rev. Lett.
, vol.72
, pp. 1248
-
-
Svane, A.1
-
50
-
-
0001165932
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.53.4275
-
A. Svane, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.4275 53, 4275 (1996);
-
(1996)
Phys. Rev. B
, vol.53
, pp. 4275
-
-
Svane, A.1
-
51
-
-
15744404246
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.71.045119
-
A. Svane, V. Kanchana, G. Vaitheeswaran, G. Santi, W. M. Temmerman, Z. Szotek, P. Strange, and L. Petit, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.045119 71, 045119 (2005).
-
(2005)
Phys. Rev. B
, vol.71
, pp. 045119
-
-
Svane, A.1
Kanchana, V.2
Vaitheeswaran, G.3
Santi, G.4
Temmerman, W.M.5
Szotek, Z.6
Strange, P.7
Petit, L.8
-
52
-
-
33244495988
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.73.045107
-
L. Petit, T. C. Schulthess, A. Svane, Z. Szotek, W. M. Temmerman, and A. Janotti, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.045107 73, 045107 (2006).
-
(2006)
Phys. Rev. B
, vol.73
, pp. 045107
-
-
Petit, L.1
Schulthess, T.C.2
Svane, A.3
Szotek, Z.4
Temmerman, W.M.5
Janotti, A.6
-
53
-
-
0141649271
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.68.054415
-
Z. Szotek, W. M. Temmerman, A. Svane, L. Petit, G. M. Stocks, and H. Winter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.054415 68, 054415 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 054415
-
-
Szotek, Z.1
Temmerman, W.M.2
Svane, A.3
Petit, L.4
Stocks, G.M.5
Winter, H.6
-
54
-
-
0037181992
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.88.216403
-
L. Petit, A. Svane, W. M. Temmerman, and Z. Szotek, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.88.216403 88, 216403 (2002);
-
(2002)
Phys. Rev. Lett.
, vol.88
, pp. 216403
-
-
Petit, L.1
Svane, A.2
Temmerman, W.M.3
Szotek, Z.4
-
55
-
-
0001524496
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.63.165107
-
L. Petit, A. Svane, W. M. Temmerman, and Z. Szotek, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.63.165107 63, 165107 (2001).
-
(2001)
Phys. Rev. B
, vol.63
, pp. 165107
-
-
Petit, L.1
Svane, A.2
Temmerman, W.M.3
Szotek, Z.4
-
56
-
-
0007483819
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.22.649
-
A. Zunger, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.22.649 22, 649 (1980).
-
(1980)
Phys. Rev. B
, vol.22
, pp. 649
-
-
Zunger, A.1
-
57
-
-
0001382813
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.52.16567
-
M. M. Rieger and P. Vogl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.52.16567 52, 16567 (1995).
-
(1995)
Phys. Rev. B
, vol.52
, pp. 16567
-
-
Rieger, M.M.1
Vogl, P.2
-
58
-
-
27144538815
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.95.086405
-
A. Filippetti and V. Fiorentini, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.086405 95, 086405 (2005).
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 086405
-
-
Filippetti, A.1
Fiorentini, V.2
-
59
-
-
33749158659
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.73.035128
-
A. Filippetti and V. Fiorentini, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.035128 73, 035128 (2005).
-
(2005)
Phys. Rev. B
, vol.73
, pp. 035128
-
-
Filippetti, A.1
Fiorentini, V.2
-
60
-
-
0041837569
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.68.045111
-
A. Filippetti and N. A. Spaldin, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.045111 68, 045111 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 045111
-
-
Filippetti, A.1
Spaldin, N.A.2
-
61
-
-
1542273532
-
-
NMAACR 1476-1122 10.1038/nmat1080
-
B. B. Van Aken, T. T. M. A. Palstra, A. Filippetti, and N. A. Spaldin, Nat. Mater. NMAACR 1476-1122 10.1038/nmat1080 3, 164 (2003).
-
(2003)
Nat. Mater.
, vol.3
, pp. 164
-
-
Van Aken, B.B.1
Palstra, T.T.M.A.2
Filippetti, A.3
Spaldin, N.A.4
-
63
-
-
9744285003
-
-
CMPHC2 0301-0104 10.1016/j.chemphys.2004.02.023
-
A. Filippetti, N. A. Spaldin, and S. Sanvito, Chem. Phys. CMPHC2 0301-0104 10.1016/j.chemphys.2004.02.023 309, 59 (2005).
-
(2005)
Chem. Phys.
, vol.309
, pp. 59
-
-
Filippetti, A.1
Spaldin, N.A.2
Sanvito, S.3
-
65
-
-
33646671441
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.73.195205
-
B. Baumeier, P. Krüger, and J. Pollmann, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.195205 73, 195205 (2006).
-
(2006)
Phys. Rev. B
, vol.73
, pp. 195205
-
-
Baumeier, B.1
Krüger, P.2
Pollmann, J.3
-
66
-
-
4243690324
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.56.12847
-
N. Marzari and D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.56.12847 56, 12847 (1997).
-
(1997)
Phys. Rev. B
, vol.56
, pp. 12847
-
-
Marzari, N.1
Vanderbilt, D.2
-
67
-
-
26144432665
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.28.3585
-
M. R. Norman, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.28.3585 28, 3585 (1983).
-
(1983)
Phys. Rev. B
, vol.28
, pp. 3585
-
-
Norman, M.R.1
-
68
-
-
33645426115
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.43.1993
-
N. Troullier and J. L. Martins, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.43.1993 43, 1993 (1991).
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.L.2
-
69
-
-
0000549623
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.26.1738
-
S. G. Louie, S. Froyen, and M. L. Cohen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.26.1738 26, 1738 (1982).
-
(1982)
Phys. Rev. B
, vol.26
, pp. 1738
-
-
Louie, S.G.1
Froyen, S.2
Cohen, M.L.3
-
70
-
-
0001161603
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425
-
L. Kleinman and D. M. Bylander, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.48.1425 48, 1425 (1982).
-
(1982)
Phys. Rev. Lett.
, vol.48
, pp. 1425
-
-
Kleinman, L.1
Bylander, D.M.2
-
71
-
-
0001563650
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.40.3979
-
O. F. Sankey and D. J. Niklewski, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.40.3979 40, 3979 (1989).
-
(1989)
Phys. Rev. B
, vol.40
, pp. 3979
-
-
Sankey, O.F.1
Niklewski, D.J.2
-
72
-
-
0033197383
-
-
PSSBBD 0370-1972 10.1002/(SICI)1521-3951(199909)215:1<809::AID- PSSB809>3.0.CO;2-0
-
E. Artacho, D. Sanchez-Portal, P. Ordejón, A. García, and J. M. Soler, Phys. Status Solidi B PSSBBD 0370-1972 10.1002/(SICI)1521- 3951(199909)215:1<809::AID-PSSB809>3.0.CO;2-0 215, 809 (1999).
-
(1999)
Phys. Status Solidi B
, vol.215
, pp. 809
-
-
Artacho, E.1
Sanchez-Portal, D.2
Ordejón, P.3
García, A.4
Soler, J.M.5
-
73
-
-
0035894201
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.64.235111
-
J. Junquera, O. Paz, D. Sanchez-Portal, and E. Artacho, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.235111 64, 235111 (2001).
-
(2001)
Phys. Rev. B
, vol.64
, pp. 235111
-
-
Junquera, J.1
Paz, O.2
Sanchez-Portal, D.3
Artacho, E.4
-
74
-
-
0001486791
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.57.1505
-
S. L. Dudarev, G. A. Botton, S. Y. Savrasov, C. J. Humphreys, and A. P. Sutton, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.57.1505 57, 1505 (1998).
-
(1998)
Phys. Rev. B
, vol.57
, pp. 1505
-
-
Dudarev, S.L.1
Botton, G.A.2
Savrasov, S.Y.3
Humphreys, C.J.4
Sutton, A.P.5
-
75
-
-
4243209020
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.51.1888
-
L. J. Sham and M. Schlüter, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.51.1888 51, 1888 (1983);
-
(1983)
Phys. Rev. Lett.
, vol.51
, pp. 1888
-
-
Sham, L.J.1
Schlüter, M.2
-
76
-
-
33744712364
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.32.3883
-
L. J. Sham and M. Schlüter, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.32.3883 32, 3883 (1985).
-
(1985)
Phys. Rev. B
, vol.32
, pp. 3883
-
-
Sham, L.J.1
Schlüter, M.2
-
77
-
-
0034664510
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.62.7121
-
W. G. Aulbur, M. Städele, and A. Görling, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.62.7121 62, 7121 (2000).
-
(2000)
Phys. Rev. B
, vol.62
, pp. 7121
-
-
Aulbur, W.G.1
Städele, M.2
Görling, A.3
-
78
-
-
1542314220
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.69.045111
-
R. J. Magyar, A. Fleszar, and E. K. U. Gross, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.69.045111 69, 045111 (2004).
-
(2004)
Phys. Rev. B
, vol.69
, pp. 045111
-
-
Magyar, R.J.1
Fleszar, A.2
Gross, E.K.U.3
-
80
-
-
0000504062
-
-
JUPSAU 0031-9015 10.1143/JPSJ.26.1427
-
S. Nakai and T. Sagawa, J. Phys. Soc. Jpn. JUPSAU 0031-9015 10.1143/JPSJ.26.1427 26, 1427 (1969).
-
(1969)
J. Phys. Soc. Jpn.
, vol.26
, pp. 1427
-
-
Nakai, S.1
Sagawa, T.2
-
81
-
-
0004750930
-
-
PRVAAH 0096-8250 10.1103/PhysRev.136.A1705
-
J. C. Phillips, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.136.A1705 136, A1705 (1964).
-
(1964)
Phys. Rev.
, vol.136
, pp. 1705
-
-
Phillips, J.C.1
-
83
-
-
0023166015
-
-
JCRGAE 0022-0248 10.1016/0022-0248(90)90701-L
-
Y. Kaneko and T. Koda, J. Cryst. Growth JCRGAE 0022-0248 10.1016/0022-0248(90)90701-L 86, 72 (1988).
-
(1988)
J. Cryst. Growth
, vol.86
, pp. 72
-
-
Kaneko, Y.1
Koda, T.2
-
84
-
-
0018430639
-
-
JAPIAU 0021-8979 10.1063/1.326007
-
H. Yamashita, K. Fukui, S. Misawa, and S. Yoshida, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.326007 50, 896 (1979).
-
(1979)
J. Appl. Phys.
, vol.50
, pp. 896
-
-
Yamashita, H.1
Fukui, K.2
Misawa, S.3
Yoshida, S.4
-
85
-
-
0002538560
-
-
edited by M. E. Levinshtein, S. L. Rumyantsev, and M. S. Shur (John Wiley & Sons, Inc., New York
-
V. Bougrov, M. E. Levinshtein, S. L. Rumyantsev, and A. Zubrilov, in Properties of Advanced Semiconductor Materials GaN, AlN, InN, BN, SiC, SiGe, edited by, M. E. Levinshtein,,, S. L. Rumyantsev,, and, M. S. Shur, (John Wiley & Sons, Inc., New York, 2001), pp. 1-30.
-
(2001)
Properties of Advanced Semiconductor Materials GaN, AlN, InN, BN, SiC, SiGe
, pp. 1-30
-
-
Bougrov, V.1
Levinshtein, M.E.2
Rumyantsev, S.L.3
Zubrilov, A.4
-
86
-
-
0037524206
-
-
PSSBBD 0370-1972
-
B. R. Nag, Phys. Status Solidi B PSSBBD 0370-1972 237, 2R1 (2003), and references therein.
-
(2003)
Phys. Status Solidi B
, vol.237
-
-
Nag, B.R.1
-
87
-
-
0001726254
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.60.10754
-
M. Oshikiri and F. Aryasetiawan, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.10754 60, 10754 (1999), and references therein.
-
(1999)
Phys. Rev. B
, vol.60
, pp. 10754
-
-
Oshikiri, M.1
Aryasetiawan, F.2
-
88
-
-
0001495079
-
-
JPSOAW 0022-3719 10.1088/0022-3719/21/23/013
-
S. C. Erwin and C. C. Lin, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/21/23/013 21, 4285 (1988), and references therein.
-
(1988)
J. Phys. C
, vol.21
, pp. 4285
-
-
Erwin, S.C.1
Lin, C.C.2
-
89
-
-
84956276027
-
-
PHSTBO 0031-8949 10.1088/0031-8949/41/4/036
-
M. L. Bortz, R. H. French, D. J. Jones, R. V. Kasowski, and F. S. Ohuchi, Phys. Scr. PHSTBO 0031-8949 10.1088/0031-8949/41/4/036 41, 537 (1990).
-
(1990)
Phys. Scr.
, vol.41
, pp. 537
-
-
Bortz, M.L.1
French, R.H.2
Jones, D.J.3
Kasowski, R.V.4
Ohuchi, F.S.5
-
92
-
-
0001507057
-
-
edited by M. Scheffler and R. Zimmermann (World Scientific, Singapore
-
S. A. Ding, S. R. Barman, K. Horn, and V. L. Alpherovich, in Proceedings of ICPS-23, edited by, M. Scheffler, and, R. Zimmermann, (World Scientific, Singapore, 1996), p. 525.
-
(1996)
Proceedings of ICPS-23
, pp. 525
-
-
Ding, S.A.1
Barman, S.R.2
Horn, K.3
Alpherovich, V.L.4
-
93
-
-
29744448341
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.72.245319
-
L. F. J. Piper, T. D. Veal, P. H. Jefferson, C. F. McConville, F. Fuchs, J. Furthmüller, F. Bechstedt, H. Lu, and W. J. Schaff, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.245319 72, 245319 (2005).
-
(2005)
Phys. Rev. B
, vol.72
, pp. 245319
-
-
Piper, L.F.J.1
Veal, T.D.2
Jefferson, P.H.3
McConville, C.F.4
Fuchs, F.5
Furthmüller, J.6
Bechstedt, F.7
Lu, H.8
Schaff, W.J.9
-
94
-
-
0242692422
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.68.125417
-
K. Ozawa, K. Sawada, Y. Shirotori, K. Edamoto, and M. Nakatake, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.68.125417 68, 125417 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 125417
-
-
Ozawa, K.1
Sawada, K.2
Shirotori, Y.3
Edamoto, K.4
Nakatake, M.5
-
95
-
-
0001073506
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.9.600
-
L. Ley, R. A. Pollak, F. R. McFeely, S. P. Kowalczyk, and D. A. Shirley, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.9.600 9, 600 (1974).
-
(1974)
Phys. Rev. B
, vol.9
, pp. 600
-
-
Ley, L.1
Pollak, R.A.2
McFeely, F.R.3
Kowalczyk, S.P.4
Shirley, D.A.5
-
96
-
-
0000108461
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.50.14155
-
W. R. L. Lambrecht, B. Segall, S. Strite, G. Martin, A. Agarwal, H. Morkoc, and A. Rockett, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.50.14155 50, 14155 (1994).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 14155
-
-
Lambrecht, W.R.L.1
Segall, B.2
Strite, S.3
Martin, G.4
Agarwal, A.5
Morkoc, H.6
Rockett, A.7
-
97
-
-
33244475319
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.73.085414
-
A. R. Rocha, V. M. Garcia-Suarez, S. Bailey, C. Lambert, J. Ferrer, and S. Sanvito, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.085414 73, 085414 (2006);
-
(2006)
Phys. Rev. B
, vol.73
, pp. 085414
-
-
Rocha, A.R.1
Garcia-Suarez, V.M.2
Bailey, S.3
Lambert, C.4
Ferrer, J.5
Sanvito, S.6
-
98
-
-
16244403960
-
-
NMAACR 1476-1122
-
A. R. Rocha, V. M. Garcia-Suarez, S. Bailey, C. Lambert, J. Ferrer, and S. Sanvito, Nat. Mater. NMAACR 1476-1122 4, 335 (2005).
-
(2005)
Nat. Mater.
, vol.4
, pp. 335
-
-
Rocha, A.R.1
Garcia-Suarez, V.M.2
Bailey, S.3
Lambert, C.4
Ferrer, J.5
Sanvito, S.6
-
99
-
-
33846412552
-
-
NIST Computational Chemistry Comparison and Benchmark DataBase
-
NIST Computational Chemistry Comparison and Benchmark DataBase, http://srdata. nist. gov/cccbdb/default. htm
-
-
-
-
100
-
-
34547555133
-
-
JCPSA6 0021-9606 10.1063/1.2176608
-
O. A. Vydrov, G. E. Scuseria, J. P. Perdew, A. Ruzsinszky, and G. I. Csonka, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2176608 124, 094108 (2006).
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 094108
-
-
Vydrov, O.A.1
Scuseria, G.E.2
Perdew, J.P.3
Ruzsinszky, A.4
Csonka, G.I.5
-
101
-
-
34547853753
-
-
JCPSA6 0021-9606 10.1063/1.2204599
-
O. A. Vydrov and G. E. Scuseria, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.2204599 124, 191101 (2006).
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 191101
-
-
Vydrov, O.A.1
Scuseria, G.E.2
-
102
-
-
50249212855
-
-
PHYSAG 0031-8914 10.1016/S0031-8914(34)90011-2
-
T. Koopmans, Physica (Amsterdam) PHYSAG 0031-8914 10.1016/S0031-8914(34) 90011-2 1, 104 (1933).
-
(1933)
Physica (Amsterdam)
, vol.1
, pp. 104
-
-
Koopmans, T.1
-
103
-
-
0014625919
-
-
JPAMA4 0022-3700 10.1088/0022-3700/2/12/313
-
L. Hedin and A. Johansson, J. Phys. B JPAMA4 0022-3700 10.1088/0022-3700/2/12/313 2, 1336 (1969).
-
(1969)
J. Phys. B
, vol.2
, pp. 1336
-
-
Hedin, L.1
Johansson, A.2
-
104
-
-
0038170797
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.57.914
-
A. Filippetti, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.57.914 57, 914 (1998).
-
(1998)
Phys. Rev. a
, vol.57
, pp. 914
-
-
Filippetti, A.1
-
105
-
-
0000713031
-
-
PLRAAN 1050-2947 10.1103/PhysRevA.46.5545
-
P. Baltzer, M. Larsson, L. Karlsson, B. Wannberg, and M. Carlsson Göthe, Phys. Rev. A PLRAAN 1050-2947 10.1103/PhysRevA.46.5545 46, 5545 (1992).
-
(1992)
Phys. Rev. a
, vol.46
, pp. 5545
-
-
Baltzer, P.1
Larsson, M.2
Karlsson, L.3
Wannberg, B.4
Carlsson Göthe, M.5
|