-
1
-
-
2342486652
-
The path to ubiquitous and low-cost organic electronic appliances on plastic
-
DOI 10.1038/nature02498
-
S. Forrest, Nature 0028-0836 10.1038/nature02498 428, 911 (2004). (Pubitemid 38568095)
-
(2004)
Nature
, vol.428
, Issue.6986
, pp. 911-918
-
-
Forrest, S.R.1
-
4
-
-
35748974806
-
Organic electronics: Spintronics goes plastic
-
DOI 10.1038/nmat2050, PII NMAT2050
-
S. Sanvito, Nat. Mater. 1476-1122 10.1038/nmat2050 6, 803 (2007). (Pubitemid 350050573)
-
(2007)
Nature Materials
, vol.6
, Issue.11
, pp. 803-804
-
-
Sanvito, S.1
-
5
-
-
77950214388
-
-
0036-8075 10.1126/science.1182383
-
J. A. Rogers, T. Someya, and Y. Huang, Science 0036-8075 10.1126/science.1182383 327, 1603 (2010).
-
(2010)
Science
, vol.327
, pp. 1603
-
-
Rogers, J.A.1
Someya, T.2
Huang, Y.3
-
6
-
-
4043129687
-
-
0884-2914 10.1557/JMR.2004.0251
-
G. Witte and C. Wöll, J. Mater. Res. 0884-2914 10.1557/JMR.2004.0251 19, 1889 (2004).
-
(2004)
J. Mater. Res.
, vol.19
, pp. 1889
-
-
Witte, G.1
Wöll, C.2
-
7
-
-
18144411662
-
Polarization at the gold/pentacene interface
-
DOI 10.1016/j.orgel.2005.03.003, PII S156611990500011X
-
F. Amy, C. Chan, and A. Kahn, Organic Electronics 1566-1199 10.1016/j.orgel.2005.03.003 6, 85 (2005). (Pubitemid 40612851)
-
(2005)
Organic Electronics: physics, materials, applications
, vol.6
, Issue.2
, pp. 85-91
-
-
Amy, F.1
Chan, C.2
Kahn, A.3
-
8
-
-
33745091138
-
Origin of the highest occupied band position in pentacene films from ultraviolet photoelectron spectroscopy: Hole stabilization versus band dispersion
-
DOI 10.1103/PhysRevB.73.245310
-
H. Fukagawa, H. Yamane, T. Kataoka, S. Kera, M. Nakamura, K. Kudo, and N. Ueno, Phys. Rev. B 1098-0121 10.1103/PhysRevB.73.245310 73, 245310 (2006). (Pubitemid 43884698)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.24
, pp. 245310
-
-
Fukagawa, H.1
Yamane, H.2
Kataoka, T.3
Kera, S.4
Nakamura, M.5
Kudo, K.6
Ueno, N.7
-
10
-
-
0001174145
-
-
0009-2614 10.1016/S0009-2614(00)00882-4
-
I. G. Hill, A. Kahn, Z. G. Soos, and J. R. A. Pascal, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(00)00882-4 327, 181 (2000).
-
(2000)
Chem. Phys. Lett.
, vol.327
, pp. 181
-
-
Hill, I.G.1
Kahn, A.2
Soos, Z.G.3
Pascal, J.R.A.4
-
11
-
-
33747068008
-
-
0301-0104 10.1016/j.chemphys.2006.02.003
-
D. R. T. Zahn, G. N. Gavrila, and M. Gorgoi, Chem. Phys. 0301-0104 10.1016/j.chemphys.2006.02.003 325, 99 (2006).
-
(2006)
Chem. Phys.
, vol.325
, pp. 99
-
-
Zahn, D.R.T.1
Gavrila, G.N.2
Gorgoi, M.3
-
12
-
-
49349105389
-
-
1367-2630 10.1088/1367-2630/10/8/085001
-
S. Krause, New J. Phys. 1367-2630 10.1088/1367-2630/10/8/085001 10, 085001 (2008).
-
(2008)
New J. Phys.
, vol.10
, pp. 085001
-
-
Krause, S.1
-
13
-
-
56249083864
-
-
0079-6816 10.1016/j.progsurf.2008.10.002
-
N. Ueno and S. Kera, Prog. Surf. Sci. 0079-6816 10.1016/j.progsurf.2008. 10.002 83, 490 (2008).
-
(2008)
Prog. Surf. Sci.
, vol.83
, pp. 490
-
-
Ueno, N.1
Kera, S.2
-
14
-
-
72449164316
-
-
0167-7977 10.1016/0167-7977(89)90002-6
-
W. E. Pickett, Comput. Phys. Rep. 0167-7977 10.1016/0167-7977(89)90002-6 9, 115 (1989).
-
(1989)
Comput. Phys. Rep.
, vol.9
, pp. 115
-
-
Pickett, W.E.1
-
15
-
-
0001946865
-
-
in edited by P. T. Landsberg, Vol. 1 (Elsevier, Amsterdam
-
J. R. Chelikowsky and M. L. Cohen, in Handbook on Semiconductors, edited by, P. T. Landsberg, Vol. 1 (Elsevier, Amsterdam, 1992), p. 59.
-
(1992)
Handbook on Semiconductors
, pp. 59
-
-
Chelikowsky, J.R.1
Cohen, M.L.2
-
16
-
-
38049123534
-
-
0034-6861 10.1103/RevModPhys.80.3
-
S. Kümmel and L. Kronik, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys.80.3 80, 3 (2008).
-
(2008)
Rev. Mod. Phys.
, vol.80
, pp. 3
-
-
Kümmel, S.1
Kronik, L.2
-
17
-
-
25544479230
-
-
1098-0121 10.1103/PhysRevB.34.5390
-
M. S. Hybertsen and S. G. Louie, Phys. Rev. B 1098-0121 10.1103/PhysRevB.34.5390 34, 5390 (1986).
-
(1986)
Phys. Rev. B
, vol.34
, pp. 5390
-
-
Hybertsen, M.S.1
Louie, S.G.2
-
18
-
-
4243810484
-
-
1098-0121 10.1103/PhysRevB.62.4927
-
M. Rohlfing and S. G. Louie, Phys. Rev. B 1098-0121 10.1103/PhysRevB.62. 4927 62, 4927 (2000).
-
(2000)
Phys. Rev. B
, vol.62
, pp. 4927
-
-
Rohlfing, M.1
Louie, S.G.2
-
19
-
-
24844432170
-
-
1098-0121 10.1103/PhysRevB.32.7005
-
M. S. Hybertsen and S. G. Louie, Phys. Rev. B 1098-0121 10.1103/PhysRevB.32.7005 32, 7005 (1985).
-
(1985)
Phys. Rev. B
, vol.32
, pp. 7005
-
-
Hybertsen, M.S.1
Louie, S.G.2
-
20
-
-
0002883487
-
-
in edited by C. Y. Fong (World Scientific, Singapore
-
S. G. Louie, in Topics in Computational Materials Science, edited by, C. Y. Fong, (World Scientific, Singapore, 1997), p. 96.
-
(1997)
Topics in Computational Materials Science
, pp. 96
-
-
Louie, S.G.1
-
21
-
-
0012050648
-
-
in edited by H. Ehrenreich and F. Spaepen, Vol. 54 Academic Press, New York
-
W. G. Aulbur, L. Jönsson, and J. W. Wilkins, in Solid State Physics, edited by, H. Ehrenreich, and, F. Spaepen, Vol. 54 (Academic Press, New York, 1999), p. 1.
-
(1999)
Solid State Physics
, pp. 1
-
-
Aulbur, W.G.1
Jönsson, L.2
Wilkins, J.W.3
-
22
-
-
0035369552
-
GW self-energy calculations for surfaces and interfaces
-
DOI 10.1016/S0010-4655(01)00174-6, PII S0010465501001746
-
P. García-González and R. W. Godby, Comput. Phys. Commun. 0010-4655 10.1016/S0010-4655(01)00174-6 137, 108 (2001). (Pubitemid 32495626)
-
(2001)
Computer Physics Communications
, vol.137
, Issue.1
, pp. 108-122
-
-
Garcia-Gonzalez, P.1
Godby, R.W.2
-
23
-
-
0000291555
-
-
0031-9007 10.1103/PhysRevLett.71.133
-
E. L. Shirley and S. G. Louie, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.71.133 71, 133 (1993).
-
(1993)
Phys. Rev. Lett.
, vol.71
, pp. 133
-
-
Shirley, E.L.1
Louie, S.G.2
-
24
-
-
0001306427
-
-
0031-9007 10.1103/PhysRevLett.83.4413
-
J. W. van der Horst, P. A. Bobbert, M. A. J. Michels, G. Brocks, and P. J. Kelly, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.83.4413 83, 4413 (1999).
-
(1999)
Phys. Rev. Lett.
, vol.83
, pp. 4413
-
-
Van Der Horst, J.W.1
Bobbert, P.A.2
Michels, M.A.J.3
Brocks, G.4
Kelly, P.J.5
-
26
-
-
43049103439
-
-
1098-0121 10.1103/PhysRevB.77.161306
-
N. Sai, M. L. Tiago, J. R. Chelikowsky, and F. A. Reboredo, Phys. Rev. B 1098-0121 10.1103/PhysRevB.77.161306 77, 161306 (2008).
-
(2008)
Phys. Rev. B
, vol.77
, pp. 161306
-
-
Sai, N.1
Tiago, M.L.2
Chelikowsky, J.R.3
Reboredo, F.A.4
-
27
-
-
33646855619
-
Valence electronic structure of gas-phase 3,4,9,10-perylene tetracarboxylic acid dianhydride: Experiment and theory
-
DOI 10.1103/PhysRevB.73.195208
-
N. Dori, M. Menon, L. Kilian, M. Sokolowski, L. Kronik, and E. Umbach, Phys. Rev. B: Condensed Matter and Materials Physics 1098-0121 10.1103/PhysRevB.73.195208 73, 195208 (2006). (Pubitemid 43782086)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.19
, pp. 195208
-
-
Dori, N.1
Menon, M.2
Kilian, L.3
Sokolowski, M.4
Kronik, L.5
Umbach, E.6
-
28
-
-
50849113774
-
-
0021-9606 10.1063/1.2973627
-
M. L. Tiago, P. R. C. Kent, R. Q. Hood, and F. A. Reboredo, J. Chem. Phys. 0021-9606 10.1063/1.2973627 129, 084311 (2008).
-
(2008)
J. Chem. Phys.
, vol.129
, pp. 084311
-
-
Tiago, M.L.1
Kent, P.R.C.2
Hood, R.Q.3
Reboredo, F.A.4
-
29
-
-
69549086153
-
-
0021-9606 10.1063/1.3204938
-
M. Palummo, C. Hogan, F. Sottile, P. Bagala, and A. Rubio, J. Chem. Phys. 0021-9606 10.1063/1.3204938 131, 084102 (2009).
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 084102
-
-
Palummo, M.1
Hogan, C.2
Sottile, F.3
Bagala, P.4
Rubio, A.5
-
30
-
-
67049100527
-
-
1098-0121 10.1103/PhysRevB.79.195410
-
M. L. Tiago and F. A. Reboredo, Phys. Rev. B 1098-0121 10.1103/PhysRevB.79.195410 79, 195410 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 195410
-
-
Tiago, M.L.1
Reboredo, F.A.2
-
31
-
-
78149391910
-
-
0021-9606 10.1063/1.3494540
-
D. Rocca, D. Lu, and G. Galli, J. Chem. Phys. 0021-9606 10.1063/1.3494540 133, 164109 (2010).
-
(2010)
J. Chem. Phys.
, vol.133
, pp. 164109
-
-
Rocca, D.1
Lu, D.2
Galli, G.3
-
33
-
-
82755179967
-
-
1098-0121 10.1103/PhysRevB.84.205415
-
S.-H. Ke, Phys. Rev. B 1098-0121 10.1103/PhysRevB.84.205415 84, 205415 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 205415
-
-
Ke, S.-H.1
-
34
-
-
1642559619
-
-
0927-0256 10.1016/j.commatsci.2003.09.006
-
R. G. Endres, C. Y. Fong, L. H. Yang, G. Witte, and C. Wöll, Comput. Mater. Sci. 0927-0256 10.1016/j.commatsci.2003.09.006 29, 362 (2004).
-
(2004)
Comput. Mater. Sci.
, vol.29
, pp. 362
-
-
Endres, R.G.1
Fong, C.Y.2
Yang, L.H.3
Witte, G.4
Wöll, C.5
-
36
-
-
33745562103
-
Transient absorption spectroscopy and quantum-chemical studies of matrix-isolated perylene derivatives
-
DOI 10.1103/PhysRevB.73.245216
-
E. Engel, K. Schmidt, D. Beljonne, J.-L. Bredas, J. Assa, H. Frob, K. Leo, and M. Hoffmann, Phys. Rev. B 1098-0121 10.1103/PhysRevB.73.245216 73, 245216 (2006). (Pubitemid 43980805)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.73
, Issue.24
, pp. 245216
-
-
Engel, E.1
Schmidt, K.2
Beljonne, D.3
Bredas, J.-L.4
Assa, J.5
Frob, H.6
Leo, K.7
Hoffmann, M.8
-
38
-
-
34247568010
-
-
1098-0121 10.1103/PhysRevB.75.155208
-
P. Sony and A. Shukla, Phys. Rev. B 1098-0121 10.1103/PhysRevB.75.155208 75, 155208 (2007).
-
(2007)
Phys. Rev. B
, vol.75
, pp. 155208
-
-
Sony, P.1
Shukla, A.2
-
39
-
-
72049117916
-
-
1367-2630 10.1088/1367-2630/11/12/125010
-
C. Ambrosch-Draxl, D. Nabok, P. Puschnig, and C. Meisenbichler, New J. Phys. 1367-2630 10.1088/1367-2630/11/12/125010 11, 125010 (2009).
-
(2009)
New J. Phys.
, vol.11
, pp. 125010
-
-
Ambrosch-Draxl, C.1
Nabok, D.2
Puschnig, P.3
Meisenbichler, C.4
-
41
-
-
72449193114
-
-
0021-9606 10.1063/1.3270190
-
B. Hajgato, D. Szieberth, P. Geerlings, F. De Proft, and M. S. Deleuze, J. Chem. Phys. 0021-9606 10.1063/1.3270190 131, 224321 (2009).
-
(2009)
J. Chem. Phys.
, vol.131
, pp. 224321
-
-
Hajgato, B.1
Szieberth, D.2
Geerlings, P.3
De Proft, F.4
Deleuze, M.S.5
-
42
-
-
65949098410
-
-
0021-9606 10.1063/1.3133361
-
L. Huang, D. Rocca, S. Baroni, K. E. Gubbins, and M. B. Nardelli, J. Chem. Phys. 0021-9606 10.1063/1.3133361 130, 194701 (2009).
-
(2009)
J. Chem. Phys.
, vol.130
, pp. 194701
-
-
Huang, L.1
Rocca, D.2
Baroni, S.3
Gubbins, K.E.4
Nardelli, M.B.5
-
43
-
-
70349901108
-
-
0002-7863 10.1021/ja901841c
-
R. Mondal, C. Tonshoff, D. Khon, D. C. Neckers, and H. F. Bettinger, J. Am. Chem. Soc. 0002-7863 10.1021/ja901841c 131, 14281 (2009).
-
(2009)
J. Am. Chem. Soc.
, vol.131
, pp. 14281
-
-
Mondal, R.1
Tonshoff, C.2
Khon, D.3
Neckers, D.C.4
Bettinger, H.F.5
-
44
-
-
84962467451
-
-
1566-1199 10.1016/j.orgel.2009.06.011
-
P. K. Nayak and N. Periasamy, Organic Electronics 1566-1199 10.1016/j.orgel.2009.06.011 10, 1396 (2009).
-
(2009)
Organic Electronics
, vol.10
, pp. 1396
-
-
Nayak, P.K.1
Periasamy, N.2
-
46
-
-
36149016819
-
-
0031-899X 10.1103/PhysRev.139.A796
-
L. Hedin, Phys. Rev. 0031-899X 10.1103/PhysRev.139.A796 139, A796 (1965).
-
(1965)
Phys. Rev.
, vol.139
, pp. 796
-
-
Hedin, L.1
-
47
-
-
33744681542
-
-
1098-0121 10.1103/PhysRevB.35.5585
-
M. S. Hybertsen and S. G. Louie, Phys. Rev. B 1098-0121 10.1103/PhysRevB.35.5585 35, 5585 (1987).
-
(1987)
Phys. Rev. B
, vol.35
, pp. 5585
-
-
Hybertsen, M.S.1
Louie, S.G.2
-
48
-
-
34548736472
-
-
1098-0121 10.1103/PhysRevB.76.115109
-
F. Fuchs, J. Furthmüller, F. Bechstedt, M. Shishkin, and G. Kresse, Phys. Rev. B 1098-0121 10.1103/PhysRevB.76.115109 76, 115109 (2007).
-
(2007)
Phys. Rev. B
, vol.76
, pp. 115109
-
-
Fuchs, F.1
Furthmüller, J.2
Bechstedt, F.3
Shishkin, M.4
Kresse, G.5
-
50
-
-
37249050372
-
Accurate quasiparticle spectra from self-consistent GW calculations with vertex corrections
-
DOI 10.1103/PhysRevLett.99.246403
-
M. Shishkin, M. Marsman, and G. Kresse, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.99.246403 99, 246403 (2007). (Pubitemid 350276636)
-
(2007)
Physical Review Letters
, vol.99
, Issue.24
, pp. 246403
-
-
Shishkin, M.1
Marsman, M.2
Kresse, G.3
-
53
-
-
34547139312
-
Erratum: Hybrid functionals based on a screened Coulomb potential (Journal of Chemical Physics (2003) 118 (8207))
-
DOI 10.1063/1.2204597
-
J. Heyd, G. E. Scuseria, and M. Ernzerhof, J. Chem. Phys. 0021-9606 10.1063/1.2204597 124, 219906 (2006). (Pubitemid 43877849)
-
(2006)
Journal of Chemical Physics
, vol.124
, Issue.21
, pp. 219906
-
-
Heyd, J.1
Scuseria, G.E.2
Ernzerhof, M.3
-
54
-
-
33845518500
-
Influence of the exchange screening parameter on the performance of screened hybrid functionals
-
DOI 10.1063/1.2404663
-
A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, J. Chem. Phys. 0021-9606 10.1063/1.2404663 125, 224106 (2006). (Pubitemid 44927407)
-
(2006)
Journal of Chemical Physics
, vol.125
, Issue.22
, pp. 224106
-
-
Krukau, A.V.1
Vydrov, O.A.2
Izmaylov, A.F.3
Scuseria, G.E.4
-
55
-
-
84858627219
-
-
1433-7851 10.1002/1521-3773(20010504)40:91732::AID-ANIE17320>3.0.CO;2- 7
-
S. Theo, K. Christian, H. S. Jan, B. Bertram, C. H. Robert, B. Steffen, and A. T. Gordon, Angew. Chem., Int. Ed. 1433-7851 10.1002/1521-3773(20010504) 40:91732::AID-ANIE17320>3.0.CO;2-7 40, 1732 (2001).
-
(2001)
Angew. Chem., Int. Ed.
, vol.40
, pp. 1732
-
-
Theo, S.1
Christian, K.2
Jan, H.S.3
Bertram, B.4
Robert, C.H.5
Steffen, B.6
Gordon, A.T.7
-
59
-
-
77950142475
-
-
1549-9618 10.1021/ct900410j
-
N. Marom, A. Tkatchenko, M. Scheffler, and L. Kronik, Journal of Chemical Theory and Computation 1549-9618 10.1021/ct900410j 6, 81 (2010).
-
(2010)
Journal of Chemical Theory and Computation
, vol.6
, pp. 81
-
-
Marom, N.1
Tkatchenko, A.2
Scheffler, M.3
Kronik, L.4
-
60
-
-
77954070310
-
-
0883-7694 10.1557/mrs2010.581
-
A. Tkatchenko, L. Romaner, O. T. Hofmann, E. Zojer, C. Ambrosch-Draxl, and M. Scheffler, MRS Bull. 0883-7694 10.1557/mrs2010.581 35, 435 (2010).
-
(2010)
MRS Bull.
, vol.35
, pp. 435
-
-
Tkatchenko, A.1
Romaner, L.2
Hofmann, O.T.3
Zojer, E.4
Ambrosch-Draxl, C.5
Scheffler, M.6
-
61
-
-
2442537377
-
-
1098-0121 10.1103/PhysRevB.54.11169
-
G. Kresse and J. Furthmüller, Phys. Rev. B 1098-0121 10.1103/PhysRevB.54.11169 54, 11169 (1996).
-
(1996)
Phys. Rev. B
, vol.54
, pp. 11169
-
-
Kresse, G.1
Furthmüller, J.2
-
62
-
-
0030190741
-
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
-
DOI 10.1016/0927-0256(96)00008-0, PII S0927025696000080
-
G. Kresse and J. Furthmüller, Comput. Mater. Sci. 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996). (Pubitemid 126412269)
-
(1996)
Computational Materials Science
, vol.6
, Issue.1
, pp. 15-50
-
-
Kresse, G.1
Furthmuller, J.2
-
63
-
-
0011236321
-
-
1098-0121 10.1103/PhysRevB.59.1758
-
G. Kresse and D. Joubert, Phys. Rev. B 1098-0121 10.1103/PhysRevB.59.1758 59, 1758 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, D.2
-
64
-
-
84857703319
-
-
0010-4655 10.1016/j.cpc.2011.12.006
-
J. Deslippe, G. Samsonidze, D. A. Strubbe, M. Jain, M. L. Cohen, and S. G. Louie, Comput. Phys. Commun. 0010-4655 10.1016/j.cpc.2011.12.006 183, 1269 (2012).
-
(2012)
Comput. Phys. Commun.
, vol.183
, pp. 1269
-
-
Deslippe, J.1
Samsonidze, G.2
Strubbe, D.A.3
Jain, M.4
Cohen, M.L.5
Louie, S.G.6
-
65
-
-
70349568754
-
-
0953-8984 10.1088/0953-8984/21/39/395502
-
G. Paolo, J. Phys. Condens. Matter 0953-8984 10.1088/0953-8984/21/39/ 395502 21, 395502 (2009).
-
(2009)
J. Phys. Condens. Matter
, vol.21
, pp. 395502
-
-
Paolo, G.1
-
66
-
-
33645426115
-
-
1098-0121 10.1103/PhysRevB.43.1993
-
N. Troullier and J. L. Martins, Phys. Rev. B 1098-0121 10.1103/PhysRevB.43.1993 43, 1993 (1991).
-
(1991)
Phys. Rev. B
, vol.43
, pp. 1993
-
-
Troullier, N.1
Martins, J.L.2
-
67
-
-
0000183954
-
-
0301-0104 10.1016/0301-0104(87)80041-1
-
N. Sato, H. Inokuchi, and E. A. Silinsh, Chem. Phys. 0301-0104 10.1016/0301-0104(87)80041-1 115, 269 (1987).
-
(1987)
Chem. Phys.
, vol.115
, pp. 269
-
-
Sato, N.1
Inokuchi, H.2
Silinsh, E.A.3
-
69
-
-
51149210200
-
-
0034-6861 10.1103/RevModPhys.61.689
-
R. O. Jones and O. Gunnarsson, Rev. Mod. Phys. 0034-6861 10.1103/RevModPhys.61.689 61, 689 (1989).
-
(1989)
Rev. Mod. Phys.
, vol.61
, pp. 689
-
-
Jones, R.O.1
Gunnarsson, O.2
-
70
-
-
78650473599
-
-
0031-9007 10.1103/PhysRevLett.105.266802
-
T. Stein, H. Eisenberg, L. Kronik, and R. Baer, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.105.266802 105, 266802 (2010).
-
(2010)
Phys. Rev. Lett.
, vol.105
, pp. 266802
-
-
Stein, T.1
Eisenberg, H.2
Kronik, L.3
Baer, R.4
-
72
-
-
33751318708
-
Renormalization of molecular electronic levels at metal-molecule interfaces
-
DOI 10.1103/PhysRevLett.97.216405
-
J. B. Neaton, M. S. Hybertsen, and S. G. Louie, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.97.216405 97, 216405 (2006). (Pubitemid 44808142)
-
(2006)
Physical Review Letters
, vol.97
, Issue.21
, pp. 216405
-
-
Neaton, J.B.1
Hybertsen, M.S.2
Louie, S.G.3
-
73
-
-
37049098844
-
-
10.1039/f19817701621
-
N. Sato, K. Seki, and H. Inokuchi, J. Chem. Soc., Faraday Trans. 1 10.1039/f19817701621 77, 1621 (1981).
-
(1981)
J. Chem. Soc., Faraday Trans. 1
, vol.77
, pp. 1621
-
-
Sato, N.1
Seki, K.2
Inokuchi, H.3
-
74
-
-
0001532710
-
Charge redistribution and electronic polarization in organic molecular crystals
-
DOI 10.1016/S0009-2614(01)00661-3, PII S0009261401006613
-
Z. G. Soos, E. V. Tsiper, and R. A. Pascal, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(01)00661-3 342, 652 (2001). (Pubitemid 33628350)
-
(2001)
Chemical Physics Letters
, vol.342
, Issue.5-6
, pp. 652-658
-
-
Soos, Z.G.1
Tsiper, E.V.2
Pascal Jr., R.A.3
-
75
-
-
0037014783
-
-
0009-2614 10.1016/S0009-2614(02)00774-1
-
E. V. Tsiper, Z. G. Soos, W. Gao, and A. Kahn, Chem. Phys. Lett. 0009-2614 10.1016/S0009-2614(02)00774-1 360, 47 (2002).
-
(2002)
Chem. Phys. Lett.
, vol.360
, pp. 47
-
-
Tsiper, E.V.1
Soos, Z.G.2
Gao, W.3
Kahn, A.4
-
76
-
-
0141676351
-
-
1098-0121 10.1103/PhysRevB.68.085301
-
E. V. Tsiper and Z. G. Soos, Phys. Rev. B 1098-0121 10.1103/PhysRevB.68. 085301 68, 085301 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 085301
-
-
Tsiper, E.V.1
Soos, Z.G.2
-
78
-
-
84858657203
-
-
To find a high probability location for the hole, we integrate out the electronic degrees of freedom of the two-particle wavefunction for various fixed-hole positions in the supercell. We sampled hole positions within one lattice vector of the center of the 4 × 4 × 2 (2 × 3 × 2) supercell for pentacene (PTCDA) with a uniform spacing of 1-3 Å.
-
To find a high probability location for the hole, we integrate out the electronic degrees of freedom of the two-particle wavefunction for various fixed-hole positions in the supercell. We sampled hole positions within one lattice vector of the center of the 4 × 4 × 2 (2 × 3 × 2) supercell for pentacene (PTCDA) with a uniform spacing of 1-3 Å.
-
-
-
-
80
-
-
78149241709
-
-
1098-0121 10.1103/PhysRevB.82.161301
-
S. Haas, H. Matsui, and T. Hasegawa, Phys. Rev. B 1098-0121 10.1103/PhysRevB.82.161301 82, 161301 (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 161301
-
-
Haas, S.1
Matsui, H.2
Hasegawa, T.3
-
81
-
-
0034253216
-
-
0301-0104 10.1016/S0301-0104(00)00157-9
-
M. Hoffmann, K. Schmidt, T. Fritz, T. Hasche, V. M. Agranovich, and K. Leo, Chem. Phys. 0301-0104 10.1016/S0301-0104(00)00157-9 258, 73 (2000).
-
(2000)
Chem. Phys.
, vol.258
, pp. 73
-
-
Hoffmann, M.1
Schmidt, K.2
Fritz, T.3
Hasche, T.4
Agranovich, V.M.5
Leo, K.6
-
82
-
-
78149271321
-
-
1098-0121 10.1103/PhysRevB.82.155206
-
T. Körzdörfer and S. Kümmel, Phys. Rev. B 1098-0121 10.1103/PhysRevB.82.155206 82, 155206 (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 155206
-
-
Körzdörfer, T.1
Kümmel, S.2
-
83
-
-
60749114142
-
-
0947-8396 10.1007/s00339-008-5007-z
-
N. Marom and L. Kronik, Appl. Phys. A 0947-8396 10.1007/s00339-008-5007-z 95, 159 (2009).
-
(2009)
Appl. Phys. A
, vol.95
, pp. 159
-
-
Marom, N.1
Kronik, L.2
-
84
-
-
33847421737
-
-
1932-7447 10.1021/jp067004w
-
J. Hwang, E.-G. Kim, J. Liu, J.-L. Bredas, A. Duggal, and A. Kahn, J. Phys. Chem. C 1932-7447 10.1021/jp067004w 111, 1378 (2006).
-
(2006)
J. Phys. Chem. C
, vol.111
, pp. 1378
-
-
Hwang, J.1
Kim, E.-G.2
Liu, J.3
Bredas, J.-L.4
Duggal, A.5
Kahn, A.6
-
85
-
-
33750360844
-
Electronic structure of Si(111)-bound alkyl monolayers: Theory and experiment
-
DOI 10.1103/PhysRevB.74.165323
-
L. Segev, A. Salomon, A. Natan, D. Cahen, L. Kronik, F. Amy, C. K. Chan, and A. Kahn, Phys. Rev. B 1098-0121 10.1103/PhysRevB.74.165323 74, 165323 (2006). (Pubitemid 44631200)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.74
, Issue.16
, pp. 165323
-
-
Segev, L.1
Salomon, A.2
Natan, A.3
Cahen, D.4
Kronik, L.5
Amy, F.6
Chan, C.K.7
Kahn, A.8
-
86
-
-
67649395952
-
-
1098-0121 10.1103/PhysRevB.79.201205
-
T. Körzdörfer, S. Kümmel, N. Marom, and L. Kronik, Phys. Rev. B 1098-0121 10.1103/PhysRevB.79.201205 79, 201205 (2009).
-
(2009)
Phys. Rev. B
, vol.79
, pp. 201205
-
-
Körzdörfer, T.1
Kümmel, S.2
Marom, N.3
Kronik, L.4
-
87
-
-
77957728653
-
-
1098-0121 10.1103/PhysRevB.82.129903
-
T. Körzdörfer, S. Kümmel, N. Marom, and L. Kronik, Phys. Rev. B 1098-0121 10.1103/PhysRevB.82.129903 82, 129903 (E) (2010).
-
(2010)
Phys. Rev. B
, vol.82
, pp. 129903
-
-
Körzdörfer, T.1
Kümmel, S.2
Marom, N.3
Kronik, L.4
-
88
-
-
82655172792
-
-
1098-0121 10.1103/PhysRevB.84.195143
-
N. Marom, X. Ren, J. E. Moussa, J. R. Chelikowsky, and L. Kronik, Phys. Rev. B 1098-0121 10.1103/PhysRevB.84.195143 84, 195143 (2011).
-
(2011)
Phys. Rev. B
, vol.84
, pp. 195143
-
-
Marom, N.1
Ren, X.2
Moussa, J.E.3
Chelikowsky, J.R.4
Kronik, L.5
-
89
-
-
21344438863
-
Combining GW calculations with exact-exchange density-functional theory: An analysis of valence-band photoemission for compound semiconductors
-
DOI 10.1088/1367-2630/7/1/126, PII S1367263005911257
-
P. Rinke, A. Qteish, J. Neugebauer, C. Freysoldt, and M. Scheffler, New J. Phys. 1367-2630 10.1088/1367-2630/7/1/126 7, 126 (2005). (Pubitemid 40906137)
-
(2005)
New Journal of Physics
, vol.7
-
-
Rinke, P.1
Qteish, A.2
Neugebauer, J.3
Freysoldt, C.4
Scheffler, M.5
-
90
-
-
84858675494
-
-
0 (PBE) band structure and density of states for pentacene and PTCDA.
-
-
-
-
91
-
-
33646176337
-
-
0031-9007 10.1103/PhysRevLett.96.156803
-
N. Koch, A. Vollmer, I. Salzmann, B. Nickel, H. Weiss, and J. P. Rabe, Phys. Rev. Lett. 0031-9007 10.1103/PhysRevLett.96.156803 96, 156803 (2006).
-
(2006)
Phys. Rev. Lett.
, vol.96
, pp. 156803
-
-
Koch, N.1
Vollmer, A.2
Salzmann, I.3
Nickel, B.4
Weiss, H.5
Rabe, J.P.6
-
92
-
-
70349193238
-
-
0368-2048 10.1016/j.elspec.2009.04.001
-
S. Berkebile, G. Koller, A. J. Fleming, P. Puschnig, C. Ambrosch-Draxl, K. Emtsev, T. Seyller, J. Riley, and M. G. Ramsey, J. Electron Spectrosc. Relat. Phenom. 0368-2048 10.1016/j.elspec.2009.04.001 174, 22 (2009).
-
(2009)
J. Electron Spectrosc. Relat. Phenom.
, vol.174
, pp. 22
-
-
Berkebile, S.1
Koller, G.2
Fleming, A.J.3
Puschnig, P.4
Ambrosch-Draxl, C.5
Emtsev, K.6
Seyller, T.7
Riley, J.8
Ramsey, M.G.9
-
93
-
-
1642385907
-
-
1098-0121 10.1103/PhysRevB.69.075211
-
K. Hannewald, V. M. Stojanovic, J. M. T. Schellekens, P. A. Bobbert, G. Kresse, and J. Hafner, Phys. Rev. B 1098-0121 10.1103/PhysRevB.69.075211 69, 075211 (2004).
-
(2004)
Phys. Rev. B
, vol.69
, pp. 075211
-
-
Hannewald, K.1
Stojanovic, V.M.2
Schellekens, J.M.T.3
Bobbert, P.A.4
Kresse, G.5
Hafner, J.6
-
94
-
-
0345602086
-
-
1098-0121 10.1103/PhysRevB.68.033102
-
H. Yamane, S. Kera, K. K. Okudaira, D. Yoshimura, K. Seki, and N. Ueno, Phys. Rev. B 1098-0121 10.1103/PhysRevB.68.033102 68, 033102 (2003).
-
(2003)
Phys. Rev. B
, vol.68
, pp. 033102
-
-
Yamane, H.1
Kera, S.2
Okudaira, K.K.3
Yoshimura, D.4
Seki, K.5
Ueno, N.6
-
95
-
-
84858657202
-
-
DataThief III.
-
B. Tummers, DataThief III., [http://datathief.org] (2006).
-
(2006)
-
-
Tummers, B.1
-
96
-
-
36549055056
-
-
1098-0121 10.1103/PhysRevB.76.193311
-
M. B. Casu, Y. Zou, S. Kera, D. Batchelor, T. Schmidt, and E. Umbach, Phys. Rev. B 1098-0121 10.1103/PhysRevB.76.193311 76, 193311 (2007).
-
(2007)
Phys. Rev. B
, vol.76
, pp. 193311
-
-
Casu, M.B.1
Zou, Y.2
Kera, S.3
Batchelor, D.4
Schmidt, T.5
Umbach, E.6
-
97
-
-
38849209832
-
Evidence for efficient screening in organic materials
-
DOI 10.1002/pssr.200701270
-
M. B. Casu, Phys. Status Solidi (RRL)-Rapid Research Letters 1862-6254 10.1002/pssr.200701270 2, 40 (2008). (Pubitemid 351193817)
-
(2008)
Physica Status Solidi - Rapid Research Letetrs
, vol.2
, Issue.1
, pp. 40-42
-
-
Casu, M.B.1
-
98
-
-
0020176113
-
-
0370-1972 10.1002/pssb.2221130141
-
E. A. Silinsh, V. A. Kolesnikov, I. J. Muzikante, and D. R. Balode, Phys. Status Solidi B 0370-1972 10.1002/pssb.2221130141 113, 379 (1982).
-
(1982)
Phys. Status Solidi B
, vol.113
, pp. 379
-
-
Silinsh, E.A.1
Kolesnikov, V.A.2
Muzikante, I.J.3
Balode, D.R.4
-
99
-
-
0034298165
-
-
0021-9606 10.1063/1.1308518
-
H. Ozaki, J. Chem. Phys. 0021-9606 10.1063/1.1308518 113, 6361 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 6361
-
-
Ozaki, H.1
-
100
-
-
0037435148
-
-
1520-6106 10.1021/jp025807n
-
P. G. Schroeder, C. B. France, J. B. Park, and B. A. Parkinson, J. Phys. Chem. B 1520-6106 10.1021/jp025807n 107, 2253 (2003).
-
(2003)
J. Phys. Chem. B
, vol.107
, pp. 2253
-
-
Schroeder, P.G.1
France, C.B.2
Park, J.B.3
Parkinson, B.A.4
-
101
-
-
4043079795
-
-
0003-6951 10.1063/1.1775040
-
G. Beernink, T. Strunskus, G. Witte, and Ch. Wöll, Appl. Phys. Lett. 0003-6951 10.1063/1.1775040 85, 398 (2004).
-
(2004)
Appl. Phys. Lett.
, vol.85
, pp. 398
-
-
Beernink, G.1
Strunskus, T.2
Witte, G.3
Wöll, Ch.4
-
102
-
-
84858629830
-
-
COMSOL Multiphysics (2010)
-
COMSOL Multiphysics (2010) [http://www.comsol.com/products/multiphysics].
-
-
-
-
103
-
-
0034245727
-
-
1089-5639 10.1021/jp0011544
-
T. M. Halasinski, D. M. Hudgins, F. Salama, L. J. Allamandola, and T. Bally, J. Phys. Chem. A 1089-5639 10.1021/jp0011544 104, 7484 (2000).
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 7484
-
-
Halasinski, T.M.1
Hudgins, D.M.2
Salama, F.3
Allamandola, L.J.4
Bally, T.5
-
104
-
-
79956006269
-
Optical and luminescence characteristics of thermally evaporated pentacene films on Si
-
DOI 10.1063/1.1471929
-
S. P. Park, S. S. Kim, J. H. Kim, C. N. Whang, and S. Im, Appl. Phys. Lett. 0003-6951 10.1063/1.1471929 80, 2872 (2002). (Pubitemid 34599182)
-
(2002)
Applied Physics Letters
, vol.80
, Issue.16
, pp. 2872
-
-
Park, S.P.1
Kim, S.S.2
Kim, J.H.3
Whang, C.N.4
Im, S.5
-
105
-
-
33748709045
-
Optical properties of pentacene thin films and single crystals
-
DOI 10.1103/PhysRevB.74.125416
-
D. Faltermeier, B. Gompf, M. Dressel, A. K. Tripathi, and J. Pflaum, Phys. Rev. B 1098-0121 10.1103/PhysRevB.74.125416 74, 125416 (2006). (Pubitemid 44396733)
-
(2006)
Physical Review B - Condensed Matter and Materials Physics
, vol.74
, Issue.12
, pp. 125416
-
-
Faltermeier, D.1
Gompf, B.2
Dressel, M.3
Tripathi, A.K.4
Pflaum, J.5
-
106
-
-
0032473258
-
-
0040-6090 10.1016/S0040-6090(97)00797-9
-
T. Jentzsch, H. J. Juepner, K. W. Brzezinka, and A. Lau, Thin Solid Films 0040-6090 10.1016/S0040-6090(97)00797-9 315, 273 (1998).
-
(1998)
Thin Solid Films
, vol.315
, pp. 273
-
-
Jentzsch, T.1
Juepner, H.J.2
Brzezinka, K.W.3
Lau, A.4
-
107
-
-
0037882092
-
-
1098-0121 10.1103/PhysRevB.67.125201
-
M. Wewer and F. Stienkemeier, Phys. Rev. B 1098-0121 10.1103/PhysRevB.67. 125201 67, 125201 (2003).
-
(2003)
Phys. Rev. B
, vol.67
, pp. 125201
-
-
Wewer, M.1
Stienkemeier, F.2
-
108
-
-
0030486336
-
Study of localized and extended excitons in 3,4,9,10- perylenetetracarboxylic dianhydride (PTCDA). I. Spectroscopic properties of thin films and solutions
-
DOI 10.1016/0301-0104(96)00114-0, Confined Excitations in Molecular and Semiconductor Nanostructures
-
V. Bulovic, P. E. Burrows, S. R. Forrest, J. A. Cronin, and M. E. Thompson, Chem. Phys. 0301-0104 10.1016/0301-0104(96)00114-0 210, 1 (1996). (Pubitemid 126129182)
-
(1996)
Chemical Physics
, vol.210
, Issue.1-2
, pp. 1-12
-
-
Bulovic, V.1
Burrows, P.E.2
Forrest, S.R.3
Cronin, J.A.4
Thompson, M.E.5
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