-
1
-
-
57749196971
-
-
10.1103/PhysRevB.78.235104
-
S. Lany and A. Zunger, Phys. Rev. B 78, 235104 (2008). 10.1103/PhysRevB.78.235104
-
(2008)
Phys. Rev. B
, vol.78
, pp. 235104
-
-
Lany, S.1
Zunger, A.2
-
2
-
-
56949084164
-
-
10.1016/j.mseb.2008.10.024
-
P. Deák, B. Aradi, T. Frauenheim, and A. Gali, Mater. Sci. Eng., B 154-155, 187 (2008). 10.1016/j.mseb.2008.10.024
-
(2008)
Mater. Sci. Eng., B
, vol.154-155
, pp. 187
-
-
Deák, P.1
Aradi, B.2
Frauenheim, T.3
Gali, A.4
-
4
-
-
21144452165
-
-
10.1088/0953-8984/17/22/001
-
P. Deák, A. Gali, A. Sólyom, A. Buruzs, and T. Frauenheim, J. Phys.: Condens. Matter 17, S2141 (2005). 10.1088/0953-8984/17/22/001
-
(2005)
J. Phys.: Condens. Matter
, vol.17
, pp. 2141
-
-
Deák, P.1
Gali, A.2
Sólyom, A.3
Buruzs, A.4
Frauenheim, T.5
-
6
-
-
59149099649
-
-
10.1103/PhysRevLett.102.026402
-
P. Rinke, A. Janotti, M. Scheffler, and C. G. Van de Walle, Phys. Rev. Lett. 102, 026402 (2009). 10.1103/PhysRevLett.102.026402
-
(2009)
Phys. Rev. Lett.
, vol.102
, pp. 026402
-
-
Rinke, P.1
Janotti, A.2
Scheffler, M.3
Van De Walle, C.G.4
-
7
-
-
77954991428
-
-
10.1103/PhysRevB.81.113201
-
S. Lany and A. Zunger, Phys. Rev. B 81, 113201 (2010). 10.1103/PhysRevB.81.113201
-
(2010)
Phys. Rev. B
, vol.81
, pp. 113201
-
-
Lany, S.1
Zunger, A.2
-
9
-
-
70349472607
-
-
10.1103/PhysRevB.80.085202
-
S. Lany and A. Zunger, Phys. Rev. B 80, 085202 (2009). 10.1103/PhysRevB.80.085202
-
(2009)
Phys. Rev. B
, vol.80
, pp. 085202
-
-
Lany, S.1
Zunger, A.2
-
10
-
-
34347372420
-
-
10.1103/PhysRevB.75.235102;
-
M. Shishkin and G. Kresse, Phys. Rev. B 75, 235102 (2007) 10.1103/PhysRevB.75.235102
-
(2007)
Phys. Rev. B
, vol.75
, pp. 235102
-
-
Shishkin, M.1
Kresse, G.2
-
12
-
-
33845518500
-
-
10.1063/1.2404663
-
A. V. Krukau, O. A. Vydrov, A. F. Izmaylov, and G. E. Scuseria, J. Chem. Phys. 125, 224106 (2006). 10.1063/1.2404663
-
(2006)
J. Chem. Phys.
, vol.125
, pp. 224106
-
-
Krukau, A.V.1
Vydrov, O.A.2
Izmaylov, A.F.3
Scuseria, G.E.4
-
14
-
-
27744460065
-
-
10.1103/PhysRevB.49.14251;
-
G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994) 10.1103/PhysRevB.49.14251
-
(1994)
Phys. Rev. B
, vol.49
, pp. 14251
-
-
Kresse, G.1
Hafner, J.2
-
16
-
-
0011236321
-
-
10.1103/PhysRevB.59.1758
-
G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758
-
-
Kresse, G.1
Joubert, D.2
-
18
-
-
34547139150
-
-
10.1063/1.2187006
-
J. Paier, M. Marsman, K. Hummer, G. Kresse, I. C. Gerber, and J. G. Angyan, J. Chem. Phys. 124, 154709 (2006). 10.1063/1.2187006
-
(2006)
J. Chem. Phys.
, vol.124
, pp. 154709
-
-
Paier, J.1
Marsman, M.2
Hummer, K.3
Kresse, G.4
Gerber, I.C.5
Angyan, J.G.6
-
20
-
-
43049085214
-
-
10.1088/0953-8984/20/6/064201
-
M. Marsman, J. Paier, A. Stroppa, and G. Kresse, J. Phys.: Condens. Matter 20, 064201 (2008). 10.1088/0953-8984/20/6/064201
-
(2008)
J. Phys.: Condens. Matter
, vol.20
, pp. 064201
-
-
Marsman, M.1
Paier, J.2
Stroppa, A.3
Kresse, G.4
-
22
-
-
0003554309
-
-
Data in Science &Technology, edited by O. Madelung (Springer, Berlin
-
Semiconductors. Group IV Elements and II-V Compounds, Data in Science &Technology, edited by, O. Madelung, (Springer, Berlin, 1991).
-
(1991)
Semiconductors. Group IV Elements and II-V Compounds
-
-
-
23
-
-
0003426859
-
-
edited by M. E. Levinshtein, S. L. Rumyantsev, and M. S. Shur (Wiley, New York
-
Properties of Advanced Semiconductor Materials: GaN, AlN, InN, BN, SiC, and SiGe, edited by, M. E. Levinshtein,,, S. L. Rumyantsev,, and, M. S. Shur, (Wiley, New York, 2001).
-
(2001)
Properties of Advanced Semiconductor Materials: GaN, AlN, InN, BN, SiC, and SiGe
-
-
-
25
-
-
70350536495
-
-
10.1103/PhysRevLett.103.186404
-
A. Gali, E. Janzén, P. Deák, G. Kresse, and E. Kaxiras, Phys. Rev. Lett. 103, 186404 (2009). 10.1103/PhysRevLett.103.186404
-
(2009)
Phys. Rev. Lett.
, vol.103
, pp. 186404
-
-
Gali, A.1
Janzén, E.2
Deák, P.3
Kresse, G.4
Kaxiras, E.5
-
26
-
-
77955384895
-
-
Note that the electron affinity is the ionization energy of the negative charge state, and in the perfect, infinite system, the addition/removal of an electron does not change the KS level of the CBM/VBM. Adiabatic transition levels can also be calculated by adding the relaxation energy of the nuclei to the vertical transition level, as in Refs..
-
Note that the electron affinity is the ionization energy of the negative charge state, and in the perfect, infinite system, the addition/removal of an electron does not change the KS level of the CBM/VBM. Adiabatic transition levels can also be calculated by adding the relaxation energy of the nuclei to the vertical transition level, as in Refs..
-
-
-
-
27
-
-
67650525020
-
-
M. Schulz, T. Dalibor, W. Martienssen, H. Landolt, and R. Börnstein, Landolt-Börnstein, New Series, Group III Vol. Springer, Berlin
-
M. Schulz,,, T. Dalibor,,, W. Martienssen,,, H. Landolt,, and, R. Börnstein,, Impurities and defects in group IV elements, IV-IV and III-V compounds, Landolt-Börnstein, New Series, Group III Vol. 41, Pt. β. (Springer, Berlin, 2003), Subvol. a,2.
-
(2003)
Impurities and Defects in Group IV Elements, IV-IV and III-V Compounds
, vol.41
-
-
-
28
-
-
73449119560
-
-
We note, that strongly ionic semiconductors, such as ZnO, require the tuning of the mixing parameter of HSE06 [J. L. Lyons, A. Janotti, and C. G. Van de Walle, 10.1063/1.3274043Our tests on the NO defect showed that the gKT is also fulfilled with the optimal mixing parameter.
-
We note, that strongly ionic semiconductors, such as ZnO, require the tuning of the mixing parameter of HSE06 [, J. L. Lyons,,, A. Janotti,, and, C. G. Van de Walle,, Appl. Phys. Lett. 95, 252105 (2009)]. 10.1063/1.3274043
-
(2009)
Appl. Phys. Lett.
, vol.95
, pp. 252105
-
-
-
31
-
-
60949096711
-
-
10.1103/PhysRevB.79.085102
-
X. Wu, A. Selloni, and R. Car, Phys. Rev. B 79, 085102 (2009). 10.1103/PhysRevB.79.085102
-
(2009)
Phys. Rev. B
, vol.79
, pp. 085102
-
-
Wu, X.1
Selloni, A.2
Car, R.3
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