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defects.txt
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defects.txt
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Host Material,MPID,Defect,Defect Level (eV),Charge States (q/q'),Reference Energy,Type of Defect,(Exp/Th),Reference,Ref. Comments,Additional Comments
Al2O3,1143,H,4.953,(-/+),Valence Band,Interstitial,Th,https://doi.org/10.1016/j.tsf.2005.08.175,From Fig. 5c,
Al2O3,1143,O,2.880,(0/2+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
Al2O3,1143,O,3.070,(+/2+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
Al2O3,1143,O,2.690,(0/+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
AlAs,2172,Al,1.105,(-/0),Valence Band,Vacancy,Th,https://doi.org/10.2172/1039396,From Table 5,
AlAs,2172,Al,1.548,(2-/-),Valence Band,Vacancy,Th,https://doi.org/10.2172/1039396,From Table 5,
AlAs,2172,Al,2.039,(3-/2-),Valence Band,Vacancy,Th,https://doi.org/10.2172/1039396,From Table 5,
AlAs,2172,Al,0.050,(3+/4+),Valence Band,Anti-site on As,Th,https://doi.org/10.2172/1039396,From Table 9,
AlAs,2172,Al,0.230,(2+/3+),Valence Band,Anti-site on As,Th,https://doi.org/10.2172/1039396,From Table 9,
AlAs,2172,Al,0.650,(+/2+),Valence Band,Anti-site on As,Th,https://doi.org/10.2172/1039396,From Table 9,
AlAs,2172,Al,0.960,(0/+),Valence Band,Anti-site on As,Th,https://doi.org/10.2172/1039396,From Table 9,
AlAs,2172,Al,1.980,(-/0),Valence Band,Anti-site on As,Th,https://doi.org/10.2172/1039396,From Table 9,
AlAs,2172,Al,2.070,(2-/-),Valence Band,Anti-site on As,Th,https://doi.org/10.2172/1039396,From Table 9,
AlAs,2172,Al,1.140,(2+/3+),Valence Band,Interstitial,Th,https://doi.org/10.2172/1039396,From Table 11,
AlAs,2172,Al,0.840,(+/2+),Valence Band,Interstitial,Th,https://doi.org/10.2172/1039396,From Table 11,
AlAs,2172,Al,2.370,(0/+),Valence Band,Interstitial,Th,https://doi.org/10.2172/1039396,From Table 11,
AlAs,2172,Al,1.710,(-/0),Valence Band,Interstitial,Th,https://doi.org/10.2172/1039396,From Table 11,
AlAs,2172,As,0.710,(2+/3+),Valence Band,Vacancy,Th,https://doi.org/10.2172/1039396,From Table 6,
AlAs,2172,As,0.220,(+/2+),Valence Band,Vacancy,Th,https://doi.org/10.2172/1039396,From Table 6,
AlAs,2172,As,1.620,(0/+),Valence Band,Vacancy,Th,https://doi.org/10.2172/1039396,From Table 6,
AlAs,2172,As,1.320,(-/0),Valence Band,Vacancy,Th,https://doi.org/10.2172/1039396,From Table 6,
AlAs,2172,As,2.440,(2-/-),Valence Band,Vacancy,Th,https://doi.org/10.2172/1039396,From Table 6,
AlAs,2172,As,2.170,(3-/2-),Valence Band,Vacancy,Th,https://doi.org/10.2172/1039396,From Table 6,
AlAs,2172,As,0.927,(+/2+),Valence Band,Anti-site on Al,Th,https://doi.org/10.2172/1039396,From Table 8,
AlAs,2172,As,1.240,(0/+),Valence Band,Anti-site on Al,Th,https://doi.org/10.2172/1039396,From Table 8,
AlAs,2172,As,2.510,(-/0),Valence Band,Anti-site on Al,Th,https://doi.org/10.2172/1039396,From Table 8,
AlAs,2172,As,2.190,(2-/-),Valence Band,Anti-site on Al,Th,https://doi.org/10.2172/1039396,From Table 8,
AlAs,2172,As,0.800,(2+/3+),Valence Band,Interstitial,Th,https://doi.org/10.2172/1039396,From Table 12,
AlAs,2172,As,0.350,(+/2+),Valence Band,Interstitial,Th,https://doi.org/10.2172/1039396,From Table 12,
AlAs,2172,As,1.470,(0/+),Valence Band,Interstitial,Th,https://doi.org/10.2172/1039396,From Table 12,
AlAs,2172,As,1.210,(-/0),Valence Band,Interstitial,Th,https://doi.org/10.2172/1039396,From Table 12,
CdS,672,Cd,0.330,(-/0),Valence Band,Vacancy,Th,https://doi.org/10.1063/1.372014,From Table II,
CdS,672,Cd,0.510,(2-/-),Valence Band,Vacancy,Th,https://doi.org/10.1063/1.372014,From Table II,
CdS,672,Cd,0.480,N/A,Valence Band,Vacancy,Th,urn:nbn:se:uu:diva-244964,From Table 4.1,
CdS,672,Cu,0.640,(-/0),Valence Band,Substitution of Cd,Th,https://doi.org/10.1063/1.372014,From Table II,
CdSe,2691,Cd,0.420,N/A,Valence Band,Vacancy,Th,urn:nbn:se:uu:diva-244964,From Table 4.1,
CdSeTe,N/A,Cd,0.220,(-/0),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdSeTe,N/A,Cd,0.710,(2-/-),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdTe,406,Cd,0.120,(-/0),Valence Band,Vacancy,Th,https://doi.org/10.1063/1.372014,From Table II,
CdTe,406,Cd,0.270,(2-/-),Valence Band,Vacancy,Th,https://doi.org/10.1063/1.372014,From Table II,
CdTe,406,Cd,0.310,N/A,Valence Band,Vacancy,Th,urn:nbn:se:uu:diva-244964,From Table 4.1,
CdTe,406,Cu,0.140,(-/0),Valence Band,Substitution of Cd,Th,https://doi.org/10.1063/1.372014,From Table II,
CdZnS,1078780,Zn,0.180,(0/+),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdZnS,1078780,Zn,0.680,(-/0),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdZnS,1078780,Zn,1.280,(2-/-),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdZnS,1078780,Cd,0.100,(0/+),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdZnS,1078780,Cd,0.720,(-/0),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdZnS,1078780,Cd,1.260,(2-/-),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdZnSe,1078597,Zn,0.430,(-/0),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdZnSe,1078597,Zn,0.910,(2-/-),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdZnSe,1078597,Cd,0.470,(-/0),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdZnSe,1078597,Cd,0.920,(2-/-),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdZnTe,971837,Zn,0.080,(-/0),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdZnTe,971837,Zn,0.460,(2-/-),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdZnTe,971837,Cd,0.010,(-/0),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CdZnTe,971837,Cd,0.400,(2-/-),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
CuInSe2,22811,Cu,0.030,(-/0),Valence Band,Vacancy,Th,https://doi.org/10.1103/PhysRevB.57.9642,From Table II,
CuInSe2,22811,Cu,0.290,(-/0),Valence Band,Anti-site on In,Th,https://doi.org/10.1103/PhysRevB.57.9642,From Table II,
CuInSe2,22811,Cu,0.580,(2-/-),Valence Band,Anti-site on In,Th,https://doi.org/10.1103/PhysRevB.57.9642,From Table II,
CuInSe2,22811,Cu,-0.200,(0/+),Conduction Band,Interstitial,Th,https://doi.org/10.1103/PhysRevB.57.9642,From Table II,
CuInSe2,22811,In,0.170,(-/0),Valence Band,Vacancy,Th,https://doi.org/10.1103/PhysRevB.57.9642,From Table II,
CuInSe2,22811,In,0.410,(2-/-),Valence Band,Vacancy,Th,https://doi.org/10.1103/PhysRevB.57.9642,From Table II,
CuInSe2,22811,In,0.670,(3-/2-),Valence Band,Vacancy,Th,https://doi.org/10.1103/PhysRevB.57.9642,From Table II,
CuInSe2,22811,In,-0.250,(0/+),Conduction Band,Anti-site on Cu,Th,https://doi.org/10.1103/PhysRevB.57.9642,From Table II,
CuInSe2,22811,In,-0.340,(+/2+),Conduction Band,Anti-site on Cu,Th,https://doi.org/10.1103/PhysRevB.57.9642,From Table II,
GaAs,2534,As,0.800,(0/+),Valence Band,Vacancy,Th,https://doi.org/10.1016/j.mee.2011.03.081,From Section 5,
GaAs,2534,As,1.000,(-/0),Valence Band,Vacancy,Th,https://doi.org/10.1016/j.mee.2011.03.081,From Section 5,
GaAs,2534,Ga,0.200,(3-/2-),Valence Band,Vacancy,Th,https://doi.org/10.1016/j.mee.2011.03.081,From Section 4,
GaAs,2534,Ga,0.700,(2-/-),Valence Band,Vacancy,Th,https://doi.org/10.1016/j.mee.2011.03.081,From Section 4,
GaAs,2534,Ga,0.900,(-/0),Valence Band,Vacancy,Th,https://doi.org/10.1016/j.mee.2011.03.081,From Section 4,
GaN,804,Be,1.480,(-/0),Valence Band,Substitution of Ga,Th,https://doi.org/10.1063/1.3383236,From Table I,
GaN,804,Mg,0.620,(-/0),Valence Band,Substitution of Ga,Th,https://doi.org/10.1063/1.3383236,From Table I,
GaN,804,Zn,0.900,(-/0),Valence Band,Substitution of Ga,Th,https://doi.org/10.1063/1.3383236,From Table I,
Ge,32,Ga,0.650,(0/+),Valence Band,Interstitial,Exp,http://phys.au.dk/fileadmin/site_files/publikationer/phd/Martin_C_Petersen.pdf,From Table 4.1,
Ge,32,Ga,-0.300,(-/0),Conduction Band,Interstitial,Exp,http://phys.au.dk/fileadmin/site_files/publikationer/phd/Martin_C_Petersen.pdf,From Table 4.1,
Ge,32,Ge,0.300,(3-/2-),Valence Band,Vacancy,Th,http://phys.au.dk/fileadmin/site_files/publikationer/phd/Martin_C_Petersen.pdf,From Figure 4.1,
Ge,32,Ge,0.170,(2-/-),Valence Band,Vacancy,Th,http://phys.au.dk/fileadmin/site_files/publikationer/phd/Martin_C_Petersen.pdf,From Figure 4.1,
Ge,32,Ge,0.124,(-/0),Valence Band,Vacancy,Exp,http://phys.au.dk/fileadmin/site_files/publikationer/phd/Martin_C_Petersen.pdf,From Table 4.1,
Ge,32,Ge,-0.080,(0/+),Conduction Band,Interstitial,Exp,http://phys.au.dk/fileadmin/site_files/publikationer/phd/Martin_C_Petersen.pdf,From Table 4.1,
Ge,32,Ge,-0.240,(+/2+),Conduction Band,Interstitial,Exp,http://phys.au.dk/fileadmin/site_files/publikationer/phd/Martin_C_Petersen.pdf,From Table 4.1,
HfO2,352,H,6.019,(-/+),Valence Band,Interstitial,Th,https://doi.org/10.1016/j.tsf.2005.08.175,From Fig. 5c,
In2O3,22598,O,0.620,(0/2+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
In2O3,22598,O,0.560,(+/2+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
In2O3,22598,O,0.670,(0/+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
La2O3,2292,H,5.737,(-/+),Valence Band,Interstitial,Th,https://doi.org/10.1016/j.tsf.2005.08.175,From Fig. 5c,
LaAlO3,2920,Al,0.170,(0/+),Valence Band,Anti-site on La,Th,https://doi.org/10.1103/PhysRevB.88.214117,From Section 3.D,
LaAlO3,2920,Al,0.040,(+/2+),Valence Band,Anti-site on La,Th,https://doi.org/10.1103/PhysRevB.88.214117,From Section 3.D,
LaAlO3,2920,Al,0.828,(-/+),Valence Band,Anti-site on La,Th,https://doi.org/10.1143/JJAP.51.041103,From Figure 4,
LaAlO3,2920,Al,2.419,(-/0),Valence Band,Anti-site on La,Th,https://doi.org/10.1143/JJAP.51.041103,From Figure 4,
LaAlO3,2920,H,5.611,(-/+),Valence Band,Interstitial,Th,https://doi.org/10.1016/j.tsf.2005.08.175,From Fig. 5c,
LaAlO3,2920,La,0.290,(3-/0),Valence Band,Vacancy,Th,https://doi.org/10.1103/PhysRevB.88.214117,From Section 3.B,
LaAlO3,2920,La,0.431,(-/+),Valence Band,Anti-site on Al,Th,https://doi.org/10.1143/JJAP.51.041103,From Figure 4,
LaAlO3,2920,La,2.408,(-/0),Valence Band,Anti-site on Al,Th,https://doi.org/10.1143/JJAP.51.041103,From Figure 4,
LaAlO3,2920,La,2.308,(0/3+),Valence Band,Interstitial,Th,https://doi.org/10.1143/JJAP.51.041103,From Figure 4,
LaAlO3,2920,O,-1.920,(+/2+),Conduction Band,Vacancy,Th,https://doi.org/10.1103/PhysRevB.88.214117,From Section 3.A,
LaAlO3,2920,O,1.290,(0/+),Conduction Band,Vacancy,Th,https://doi.org/10.1103/PhysRevB.88.214117,From Section 3.A,
LaAlO3,2920,O,1.745,(0/2+),Valence Band,Vacancy,Th,https://doi.org/10.1143/JJAP.51.041103,From Figure 4,
LaAlO3,2920,O,2.949,(2-/0),Valence Band,Vacancy,Th,https://doi.org/10.1143/JJAP.51.041103,From Figure 4,
LaAlO3,2920,O,3.720,(2-/0),Valence Band,Interstitial,Th,https://doi.org/10.1103/PhysRevB.88.214117,From Section 3.C,
LaAlO3,2920,O,2.242,(2-/0),Valence Band,Interstitial,Th,https://doi.org/10.1143/JJAP.51.041103,From Figure 4,
LaAlO3,2920,Al,2.728,(0/3+),Valence Band,Interstitial,Th,https://doi.org/10.1143/JJAP.51.041103,From Figure 4,
MgO,1265,Cr,3.900,*,Valence Band,Substitution of Mg,Th,https://doi.org/10.1080/15980316.2014.955140,From Table II,* = same charge state as removed Mg
MgO,1265,Fe,2.760,*,Valence Band,Substitution of Mg,Th,https://doi.org/10.1080/15980316.2014.955140,From Table II,* = same charge state as removed Mg
MgO,1265,H,4.984,(-/+),Valence Band,Interstitial,Th,https://doi.org/10.1016/j.tsf.2005.08.175,From Fig. 5c,
MgO,1265,Ni,1.220,*,Valence Band,Substitution of Mg,Th,https://doi.org/10.1080/15980316.2014.955140,From Table II,* = same charge state as removed Mg
MgO,1265,O,1.920,(0/2+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
MgO,1265,O,1.980,(+/2+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
MgO,1265,O,1.850,(0/+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
MgO,1265,Ti,5.230,*,Valence Band,Substitution of Mg,Th,https://doi.org/10.1080/15980316.2014.955140,From Table II,* = same charge state as removed Mg
MgO,1265,Zn,0.060,*,Valence Band,Substitution of Mg,Th,https://doi.org/10.1080/15980316.2014.955140,From Table II,* = same charge state as removed Mg
Si,149,Al,0.067,(0/+),Valence Band,Substitution of Si,Exp,https://www.uwyo.edu/cpac/_files/docs/kasia_lectures/2-intrinsicanddopedsemiconductors.pdf,From slide 7,
Si,149,As,-0.054,(-/0),Conduction Band,Substitution of Si,Exp,https://www.uwyo.edu/cpac/_files/docs/kasia_lectures/2-intrinsicanddopedsemiconductors.pdf,From slide 7,
Si,149,B,0.045,(0/+),Valence Band,Substitution of Si,Exp,https://www.uwyo.edu/cpac/_files/docs/kasia_lectures/2-intrinsicanddopedsemiconductors.pdf,From slide 7,
Si,149,C,1.000,(0/-),Valence Band,Interstitial,Exp,https://doi.org/10.1103/PhysRevLett.101.046405,From Table II,
Si,149,Cu,0.240,(0/+),Valence Band,Substitution of Si,Exp,https://www.uwyo.edu/cpac/_files/docs/kasia_lectures/2-intrinsicanddopedsemiconductors.pdf,From slide 7,
Si,149,Cu,0.400,(+/2+),Valence Band,Substitution of Si,Exp,https://www.uwyo.edu/cpac/_files/docs/kasia_lectures/2-intrinsicanddopedsemiconductors.pdf,From slide 8,
Si,149,Cu,0.530,(2+/3+),Valence Band,Substitution of Si,Exp,https://www.uwyo.edu/cpac/_files/docs/kasia_lectures/2-intrinsicanddopedsemiconductors.pdf,From slide 9,
Si,149,Ga,0.072,(0/+),Valence Band,Substitution of Si,Exp,https://www.uwyo.edu/cpac/_files/docs/kasia_lectures/2-intrinsicanddopedsemiconductors.pdf,From slide 7,
Si,149,In,0.160,(0/+),Valence Band,Substitution of Si,Exp,https://www.uwyo.edu/cpac/_files/docs/kasia_lectures/2-intrinsicanddopedsemiconductors.pdf,From slide 7,
Si,149,Li,-0.033,(-/0),Conduction Band,Substitution of Si,Exp,https://www.uwyo.edu/cpac/_files/docs/kasia_lectures/2-intrinsicanddopedsemiconductors.pdf,From slide 7,
Si,149,P,-0.045,(-/0),Conduction Band,Substitution of Si,Exp,https://www.uwyo.edu/cpac/_files/docs/kasia_lectures/2-intrinsicanddopedsemiconductors.pdf,From slide 7,
Si,149,Sb,-0.039,(-/0),Conduction Band,Substitution of Si,Exp,https://www.uwyo.edu/cpac/_files/docs/kasia_lectures/2-intrinsicanddopedsemiconductors.pdf,From slide 7,
Si,149,Si,0.130,(+/2+),Valence Band,Vacancy,Exp,http://phys.au.dk/fileadmin/site_files/publikationer/phd/Martin_C_Petersen.pdf,From Figure 4.1,
Si,149,Si,0.030,(0/+),Valence Band,Vacancy,Exp,http://phys.au.dk/fileadmin/site_files/publikationer/phd/Martin_C_Petersen.pdf,From Figure 4.1,
Si,149,Si,0.490,(0/+),Valence Band,Vacancy,Exp,https://www.uwyo.edu/cpac/_files/docs/kasia_lectures/2-intrinsicanddopedsemiconductors.pdf,From slide 7,
Si,149,Si,0.400,(-/0),Conduction Band,Vacancy,Exp,https://www.uwyo.edu/cpac/_files/docs/kasia_lectures/2-intrinsicanddopedsemiconductors.pdf,From slide 7,
Si,149,Te,0.600,(0/+),Valence Band,Substitution of Si,Exp,https://doi.org/10.1103/PhysRevLett.101.046405,From Table II,
Si,149,Te,1.000,(+/2+),Valence Band,Substitution of Si,Exp,https://doi.org/10.1103/PhysRevLett.101.046405,From Table II,
SiO2,546794,H,5.078,(-/+),Valence Band,Interstitial,Th,https://doi.org/10.1016/j.tsf.2005.08.175,From Fig. 5c,
SnO2,856,O,0.540,(0/2+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
SnO2,856,O,0.500,(+/2+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
SnO2,856,O,0.580,(0/+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
SrTiO3,4651,H,3.918,(-/+),Valence Band,Interstitial,Th,https://doi.org/10.1016/j.tsf.2005.08.175,From Fig. 5c,
SrZrO3,4387,H,4.545,(-/+),Valence Band,Interstitial,Th,https://doi.org/10.1016/j.tsf.2005.08.175,From Fig. 5c,
TiO2,554278,H,4.075,(-/+),Valence Band,Interstitial,Th,https://doi.org/10.1016/j.tsf.2005.08.175,From Fig. 5c,
YAlO3,3792,Al,0.966,(0/+),Valence Band,Anti-site on Y,Th,https://doi.org/10.1021/jp5050404,From Figure 4,
YAlO3,3792,Al,6.935,(-/0),Valence Band,Anti-site on Y,Th,https://doi.org/10.1021/jp5050404,From Figure 4,
YAlO3,3792,O,4.282,(+/2+),Valence Band,Vacancy,Th,https://doi.org/10.1021/jp5050404,From Figure 4,
YAlO3,3792,O,4.945,(0/+),Valence Band,Vacancy,Th,https://doi.org/10.1021/jp5050404,From Figure 4,
YAlO3,3792,O,7.560,(-/0),Valence Band,Vacancy,Th,https://doi.org/10.1021/jp5050404,From Figure 4,
YAlO3,3792,O,7.825,(2-/-),Valence Band,Vacancy,Th,https://doi.org/10.1021/jp5050404,From Figure 4,
YAlO3,3792,Y,0.758,(0/+),Valence Band,Anti-site on Al,Th,https://doi.org/10.1021/jp5050404,From Figure 4,
YAlO3,3792,Y,7.882,(-/0),Valence Band,Anti-site on Al,Th,https://doi.org/10.1021/jp5050404,From Figure 4,
ZnMgO,1024045,Zn,1.220,(0/+),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
ZnMgO,1024045,Zn,2.200,(-/0),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
ZnMgO,1024045,Zn,3.120,(2-/-),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
ZnMgO,1024045,Mg,1.170,(0/+),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
ZnMgO,1024045,Mg,2.160,(-/0),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
ZnMgO,1024045,Mg,3.090,(2-/-),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
ZnO,2133,H,3.394,(0/+),Valence Band,Interstitial,Th,https://doi.org/10.1103/PhysRevB.77.245202,From Fig. 2b,
ZnO,2133,H,3.378,(0/+),Valence Band,Anti-site on O,Th,https://doi.org/10.1103/PhysRevB.77.245202,From Fig. 2b,
ZnO,2133,H,4.138,(-/+),Valence Band,Interstitial,Th,https://doi.org/10.1016/j.tsf.2005.08.175,From Fig. 5c,
ZnO,2133,Li,1.620,(-/0),Valence Band,Substitution of Zn,Th,https://doi.org/10.1063/1.3383236,From Table I,
ZnO,2133,O,2.223,(2+/0),Valence Band,Vacancy,Th,https://doi.org/10.1103/PhysRevB.77.245202,From Fig. 2b,
ZnO,2133,O,0.490,(0/2+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
ZnO,2133,O,0.880,(+/2+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
ZnO,2133,O,0.110,(0/+),Valence Band,Vacancy,Th,https://doi.org/10.2320/matertrans.43.1426,From Table 1,
ZnO,2133,O,1.500,(0/+),Valence Band,Vacancy,Th,https://doi.org/10.1063/1.4739316,From Table I,
ZnO,2133,O,2.100,(+/2+),Valence Band,Vacancy,Th,https://doi.org/10.1063/1.4739316,From Table I,
ZnO,2133,O,1.800,(0/2+),Valence Band,Vacancy,Th,https://doi.org/10.1063/1.4739316,From Table I,
ZnO,2133,Zn,3.310,(2+/+/0),Valence Band,Interstitial,Th,https://doi.org/10.1103/PhysRevB.77.245202,From Fig. 2b,Charge states combined due to difference being comparable to accuracy of ~0.05 eV
ZnO,2133,Zn,1.100,(3+/4+),Valence Band,Anti-site on O,Th,https://doi.org/10.1103/PhysRevB.77.245202,From Fig. 2b,
ZnO,2133,Zn,1.469,(+/2+),Valence Band,Anti-site on O,Th,https://doi.org/10.1103/PhysRevB.77.245202,From Fig. 2b,
ZnO,2133,Zn,3.297,(2+/+/0),Valence Band,Anti-site on O,Th,https://doi.org/10.1103/PhysRevB.77.245202,From Fig. 2b,Charge states combined due to difference being comparable to accuracy of ~0.05 eV
ZnO,2133,Zn,0.716,(0/-),Valence Band,Vacancy,Th,https://doi.org/10.1103/PhysRevB.77.245202,From Fig. 2b,
ZnO,2133,Zn,2.448,(2-/-),Valence Band,Vacancy,Th,https://doi.org/10.1103/PhysRevB.77.245202,From Fig. 2b,
ZnO,2133,Zn,0.200,(-/0),Valence Band,Vacancy,Th,https://doi.org/10.1063/1.4739316,From Table I,
ZnO,2133,Zn,0.400,(2-/-),Valence Band,Vacancy,Th,https://doi.org/10.1063/1.4739316,From Table I,
ZnO,2133,Zn,0.400,(2-/0),Valence Band,Vacancy,Th,https://doi.org/10.1063/1.4739316,From Table I,
ZnSeTe,N/A,Zn,0.200,(-/0),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
ZnSeTe,N/A,Zn,0.820,(2-/-),Valence Band,Vacancy,Th,https://doi.org/0.1021/acs.jpclett.7b02333,From Table S5 in Supporting Information,
ZrO2,2858,H,5.705,(-/+),Valence Band,Interstitial,Th,https://doi.org/10.1016/j.tsf.2005.08.175,From Fig. 5c,
ZrSiO4,4820,H,4.890,(-/+),Valence Band,Interstitial,Th,https://doi.org/10.1016/j.tsf.2005.08.175,From Fig. 5c,