-
1
-
-
0004088217
-
-
For a review, see Interscience Publishers, Inc., New York
-
For a review, see G. R. Hennig, Progress in Inorganic Chemistry (Interscience Publishers, Inc., New York, 1959), Vol. 1.
-
(1959)
Progress in Inorganic Chemistry
, vol.1
-
-
Hennig, G.R.1
-
2
-
-
25344457798
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.25.4583
-
Y. Iye and S. I. Tanuma, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.25.4583 25, 4583 (1982), and references therein.
-
(1982)
Phys. Rev. B
, vol.25
, pp. 4583
-
-
Iye, Y.1
Tanuma, S.I.2
-
3
-
-
84881620693
-
-
ZZZZZZ 1745-2473
-
Th. E. Weller, M. Ellerby, S. S. Saxena, R. P. Smith, and N. T. Skipper, Nat. Phys. ZZZZZZ 1745-2473 1, 39 (2005).
-
(2005)
Nat. Phys.
, vol.1
, pp. 39
-
-
Weller, T.E.1
Ellerby, M.2
Saxena, S.S.3
Smith, R.P.4
Skipper, N.T.5
-
4
-
-
27144514370
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.95.087003
-
N. Emery, C. Herold, M. d'Astuto, V. Garcia, Ch. Bellin, J. F. Mareche, P. Lagrange, and G. Loupias, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.087003 95, 087003 (2005).
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 087003
-
-
Emery, N.1
Herold, C.2
D'Astuto, M.3
Garcia, V.4
Bellin, Ch.5
Mareche, J.F.6
Lagrange, P.7
Loupias, G.8
-
5
-
-
28844460091
-
-
ZZZZZZ 1745-2473
-
G. Csanyi, P. B. Littlewood, A. H. Nevidomskyy, C. J. Pickard, and B. D. Simons, Nat. Phys. ZZZZZZ 1745-2473 1, 42 (2005).
-
(2005)
Nat. Phys.
, vol.1
, pp. 42
-
-
Csanyi, G.1
Littlewood, P.B.2
Nevidomskyy, A.H.3
Pickard, C.J.4
Simons, B.D.5
-
6
-
-
28844497921
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.95.227001
-
I. I. Mazin, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95. 227001 95, 227001 (2005).
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 227001
-
-
Mazin, I.I.1
-
7
-
-
33751018622
-
-
cond-mat/0604642 (unpublished).
-
D. G. Hinks, D. Rosenmann, H. Claus, M. S. Bailey, and J. D. Jorgensen, cond-mat/0604642 (unpublished).
-
-
-
Hinks, D.G.1
Rosenmann, D.2
Claus, H.3
Bailey, M.S.4
Jorgensen, J.D.5
-
8
-
-
28844432933
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.95.237002
-
M. Calandra and F. Mauri, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.95.237002 95, 237002 (2005).
-
(2005)
Phys. Rev. Lett.
, vol.95
, pp. 237002
-
-
Calandra, M.1
Mauri, F.2
-
9
-
-
33644936791
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.96.107008
-
G. Lamura, M. Aurino, G. Cifariello, E. Di Gennaro, A. Andreone, N. Emery, C. Hrold, J.-F. March, and P. Lagrange, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.107008 96, 107008 (2006).
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 107008
-
-
Lamura, G.1
Aurino, M.2
Cifariello, G.3
Di Gennaro, E.4
Andreone, A.5
Emery, N.6
Hrold, C.7
March, J.-F.8
Lagrange, P.9
-
10
-
-
33744824426
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.96.217002
-
J. S. Kim, R. K. Kremer, L. Boeri, and F. S. Razavi, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.96.217002 96, 217002 (2006).
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 217002
-
-
Kim, J.S.1
Kremer, R.K.2
Boeri, L.3
Razavi, F.S.4
-
11
-
-
33751007903
-
-
cond-mat/0603443 (unpublished).
-
A. Gauzzi, S. Takashima, N. Takeshita, C. Terakura, H. Takagi, N. Emery, C. Herold, P. Lagrange, and G. Louupias, cond-mat/0603443 (unpublished).
-
-
-
Gauzzi, A.1
Takashima, S.2
Takeshita, N.3
Terakura, C.4
Takagi, H.5
Emery, N.6
Herold, C.7
Lagrange, P.8
Louupias, G.9
-
12
-
-
33745842963
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.74.024505
-
R. P. Smith, A. Kusmartseva, Y. T. C. Ko, S. S. Saxena, A. Akrap, L. Forro, M. Laad, T. E. Weller, M. Ellerby, and N. T. Skipper, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.74.024505 74, 024505 (2006).
-
(2006)
Phys. Rev. B
, vol.74
, pp. 024505
-
-
Smith, R.P.1
Kusmartseva, A.2
Ko, Y.T.C.3
Saxena, S.S.4
Akrap, A.5
Forro, L.6
Laad, M.7
Weller, T.E.8
Ellerby, M.9
Skipper, N.T.10
-
14
-
-
0003417617
-
-
Technical University of Wien, Austria, ISBN 2-9501031-1-2.
-
P. Blaha, K. Schwarz, G. K. H. Madsen, D. Kvasnicka, and J. Luitz, WIEN2K, An Augmented-Plane-Wave + Local Orbitals Program for Calculating Crystal Properties, Karlheinz Schwarz (Technical University of Wien, Austria, 2001), ISBN 2-9501031-1-2.
-
(2001)
WIEN2K, An Augmented-Plane-Wave + Local Orbitals Program for Calculating Crystal Properties
-
-
Blaha, P.1
Schwarz, K.2
Madsen, G.K.H.3
Kvasnicka, D.4
Luitz, J.5
-
15
-
-
0000260181
-
-
IJQCB2 0020-7608 10.1002/(SICI)1097-461X(1996)57:3<309::AID-QUA4>3. 0.CO;2-1
-
J. P. Perdew and K. Burke, Int. J. Quantum Chem. IJQCB2 0020-7608 10.1002/(SICI)1097-461X(1996)57:3<309::AID-QUA4>3.0.CO;2-1 57, 309 (1996);
-
(1996)
Int. J. Quantum Chem.
, vol.57
, pp. 309
-
-
Perdew, J.P.1
Burke, K.2
-
17
-
-
33750974841
-
-
S. Baroni, A. Dal Corso, S. de Gironcoli, P. Giannozzi, C. Cavazzoni, G. Ballabio, S. Scandolo, G. Chiarotti, P. Focher, A. Pasquarello, K. Laasonen, A. Trave, R. Car, N. Marzari, and A. Kokalj, http://www.pwscf.org/;
-
-
-
Baroni, S.1
Dal Corso, A.2
De Gironcoli, S.3
Giannozzi, P.4
Cavazzoni, C.5
Ballabio, G.6
Scandolo, S.7
Chiarotti, G.8
Focher, P.9
Pasquarello, A.10
Laasonen, K.11
Trave, A.12
Car, R.13
Marzari, N.14
Kokalj, A.15
-
18
-
-
33751014386
-
-
in these calculations, the GGA exchange-correlation functional and ultrasoft pseudopotentials are employed. Convergence tests give the kinetic energy cutoffs for wave functions and charge density as 30 and 800 Ry, respectively. We sample the BZ using 8×8×8 uniform Monkhorst-Pack grid and a Methfessel-Paxton first-order smearing of 0.05 Ry. In the phonon calculation, a 4×4×4 q mesh in the first BZ was used in the interpolation of the force constants.
-
in these calculations, the GGA exchange-correlation functional and ultrasoft pseudopotentials are employed. Convergence tests give the kinetic energy cutoffs for wave functions and charge density as 30 and 800 Ry, respectively. We sample the BZ using 8×8×8 uniform Monkhorst-Pack grid and a Methfessel-Paxton first-order smearing of 0.05 Ry. In the phonon calculation, a 4×4×4 q mesh in the first BZ was used in the interpolation of the force constants.
-
-
-
-
19
-
-
0037171005
-
-
JCOMEL 0953-8984 10.1088/0953-8984/14/11/301
-
M. D. Segall, P. J. D. Lindan, M. J. Probert, C. J. Pickard, P. J. Hasnip, S. J. Clark, and M. C. Payne, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/301 14, 2717 (2002);
-
(2002)
J. Phys.: Condens. Matter
, vol.14
, pp. 2717
-
-
Segall, M.D.1
Lindan, P.J.D.2
Probert, M.J.3
Pickard, C.J.4
Hasnip, P.J.5
Clark, S.J.6
Payne, M.C.7
-
20
-
-
33750973432
-
-
we also employed ultrasoft pseudopotentials, and convergence tests give the kinetic energy cutoffs and k -points sets as 310.0 eV and a 7×7×7 uniform Monkhorst-Pack grid, respectively.
-
we also employed ultrasoft pseudopotentials, and convergence tests give the kinetic energy cutoffs and k -points sets as 310.0 eV and a 7×7×7 uniform Monkhorst-Pack grid, respectively.
-
-
-
-
21
-
-
0042989248
-
-
PHRVAO 0031-899X 10.1103/PhysRev.167.331
-
W. L. McMillan, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.167.331 167, 331 (1968).
-
(1968)
Phys. Rev.
, vol.167
, pp. 331
-
-
McMillan, W.L.1
-
22
-
-
36049060471
-
-
PHRVAO 0031-899X 10.1103/PhysRev.186.443
-
J. J. Hopfield, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.186.443 186, 443 (1969).
-
(1969)
Phys. Rev.
, vol.186
, pp. 443
-
-
Hopfield, J.J.1
-
23
-
-
0009129055
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.28.801
-
G. D. Gaspari and B. L. Gyorffy, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.28.801 28, 801 (1972).
-
(1972)
Phys. Rev. Lett.
, vol.28
, pp. 801
-
-
Gaspari, G.D.1
Gyorffy, B.L.2
-
24
-
-
4243415980
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.25.745
-
W. E. Pickett, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.25.745 25, 745 (1982);
-
(1982)
Phys. Rev. B
, vol.25
, pp. 745
-
-
Pickett, W.E.1
-
25
-
-
0000786136
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.15.4221
-
D. A. Papaconstantopoulos, L. L. Boyer, B. M. Klein, A. R. Williams, V. L. Morruzzi, and J. F. Janak, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.15. 4221 15, 4221 (1977).
-
(1977)
Phys. Rev. B
, vol.15
, pp. 4221
-
-
Papaconstantopoulos, D.A.1
Boyer, L.L.2
Klein, B.M.3
Williams, A.R.4
Morruzzi, V.L.5
Janak, J.F.6
-
26
-
-
0342842306
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.8.5093
-
W. Weber, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.8.5093 8, 5093 (1973).
-
(1973)
Phys. Rev. B
, vol.8
, pp. 5093
-
-
Weber, W.1
-
27
-
-
0035858409
-
-
PRLTAO 0031-9007 10.1103/PhysRevLett.86.4656
-
J. Kortus, I. I. Mazin, K. D. Belashchenko, V. P. Antropov, and L. L. Boyer, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.4656 86, 4656 (2001);
-
(2001)
Phys. Rev. Lett.
, vol.86
, pp. 4656
-
-
Kortus, J.1
Mazin, I.I.2
Belashchenko, K.D.3
Antropov, V.P.4
Boyer, L.L.5
-
30
-
-
0036574143
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.65.172510
-
D. A. Papaconstantopoulos and M. J. Mehl, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.172510 65, 172510 (2002);
-
(2002)
Phys. Rev. B
, vol.65
, pp. 172510
-
-
Papaconstantopoulos, D.A.1
Mehl, M.J.2
-
31
-
-
29644439869
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.72.094514
-
X. J. Chen, V. V. Struzhkin, Z. G. Wu, R. E. Cohen, S. Kung, H. K. Mao, and R. J. Hemley, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.094514 72, 094514 (2005);
-
(2005)
Phys. Rev. B
, vol.72
, pp. 094514
-
-
Chen, X.J.1
Struzhkin, V.V.2
Wu, Z.G.3
Cohen, R.E.4
Kung, S.5
Mao, H.K.6
Hemley, R.J.7
-
32
-
-
33646591892
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.73.184516
-
L. Shi and D. A. Papaconstantopoulos, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.73.184516 73, 184516 (2006).
-
(2006)
Phys. Rev. B
, vol.73
, pp. 184516
-
-
Shi, L.1
Papaconstantopoulos, D.A.2
-
35
-
-
0000033034
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.25.4110
-
D. P. DiVincenzo and S. Rabii, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.25.4110 25, 4110 (1982);
-
(1982)
Phys. Rev. B
, vol.25
, pp. 4110
-
-
Divincenzo, D.P.1
Rabii, S.2
-
36
-
-
0004398541
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.32.8462
-
C. Fretigny, D. Marchand, and M. Laguës, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.32.8462 32, 8462 (1985).
-
(1985)
Phys. Rev. B
, vol.32
, pp. 8462
-
-
Fretigny, C.1
Marchand, D.2
Laguës, M.3
-
37
-
-
0003537935
-
-
edited by H. Ehrenreich, F. Seitz, and D. Turnbull (Academic, New York
-
G. A. Samara and P. S. Peercy, in Solid State Physics, edited by, H. Ehrenreich,,, F. Seitz,, and, D. Turnbull, (Academic, New York, 1981), Vol. 36.
-
(1981)
Solid State Physics
, vol.36
-
-
Samara, G.A.1
Peercy, P.S.2
-
38
-
-
1842734293
-
-
NATUAS 0028-0836 10.1038/nature02449
-
E. A. Ekimov, V. A. Sidorov, E. D. Bauer, N. N. Mel'nik, N. J. Curro, J. D. Thompson, and S. M. Stishov, Nature (London) NATUAS 0028-0836 10.1038/nature02449 428, 542 (2004);
-
(2004)
Nature (London)
, vol.428
, pp. 542
-
-
Ekimov, E.A.1
Sidorov, V.A.2
Bauer, E.D.3
Mel'Nik, N.N.4
Curro, N.J.5
Thompson, J.D.6
Stishov, S.M.7
-
39
-
-
33749158785
-
-
PRBMDO 0163-1829 10.1103/PhysRevB.72.014306
-
Y. Ma, J. S. Tse, T. Cui, D. D. Klug, L. Zhang, Y. Xie, Y. Niu, and G. Zou, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72.014306 72, 014306 (2005).
-
(2005)
Phys. Rev. B
, vol.72
, pp. 014306
-
-
Ma, Y.1
Tse, J.S.2
Cui, T.3
Klug, D.D.4
Zhang, L.5
Xie, Y.6
Niu, Y.7
Zou, G.8
-
40
-
-
33751011677
-
-
cond-mat/0604062 (unpublished).
-
E. Jobiliong, H. D. Zhou, J. A. Janik, Y.-J. Jo, L. Balicas, J. S. Brooks, and C. R. Wiebe, cond-mat/0604062 (unpublished).
-
-
-
Jobiliong, E.1
Zhou, H.D.2
Janik, J.A.3
Jo, Y.-J.4
Balicas, L.5
Brooks, J.S.6
Wiebe, C.R.7
-
41
-
-
33751021751
-
-
cond-mat/0606404 (unpublished).
-
I. I. Mazin, L. Boeri, O. V. Dolgov, A. A. Golubov, G. B. Bachelet, M. Giantomassi, and O. K. Andersen, cond-mat/0606404 (unpublished).
-
-
-
Mazin, I.I.1
Boeri, L.2
Dolgov, O.V.3
Golubov, A.A.4
Bachelet, G.B.5
Giantomassi, M.6
Andersen, O.K.7
-
42
-
-
0004745168
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.15.5267
-
W. H. Butler, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.15.5267 15, 5267 (1977).
-
(1977)
Phys. Rev. B
, vol.15
, pp. 5267
-
-
Butler, W.H.1
-
43
-
-
0000786136
-
-
PLRBAQ 0556-2805 10.1103/PhysRevB.15.4221
-
D. A. Papaconstantopoulos, L. L. Boyer, B. M. Klein, A. R. Williams, V. L. Morruzzi, and J. F. Janak, Phys. Rev. B PLRBAQ 0556-2805 10.1103/PhysRevB.15. 4221 15, 4221 (1977).
-
(1977)
Phys. Rev. B
, vol.15
, pp. 4221
-
-
Papaconstantopoulos, D.A.1
Boyer, L.L.2
Klein, B.M.3
Williams, A.R.4
Morruzzi, V.L.5
Janak, J.F.6
|