-
2
-
-
33644979781
-
Ab initio study of the migration of small polarons in olivine LixFePO4 and their association with lithium ions and vacancies
-
Maxisch, T., Zhou, F. & Ceder, G. Ab initio study of the migration of small polarons in olivine LixFePO4 and their association with lithium ions and vacancies. Phys. Rev. B 73, 104301 (2006).
-
(2006)
Phys. Rev. B
, vol.73
, pp. 104301
-
-
Maxisch, T.1
Zhou, F.2
Ceder, G.3
-
3
-
-
84870170475
-
Quantitative theory of the oxygen vacancy and carrier self-trapping in bulk TiO2
-
Dek, P., Aradi, B. & Frauenheim, T. Quantitative theory of the oxygen vacancy and carrier self-trapping in bulk TiO2. Phys. Rev. B 86, 195206 (2012).
-
(2012)
Phys. Rev. B
, vol.86
, pp. 195206
-
-
Dek, P.1
Aradi, B.2
Frauenheim, T.3
-
4
-
-
84904654677
-
Efficacy of the DFT+U formalism for modeling hole polarons in perovskite oxides
-
Erhart, P., Klein, A., Berg, D. & Sadigh, B. Efficacy of the DFT+U formalism for modeling hole polarons in perovskite oxides. Phys. Rev. B 90, 035204 (2014).
-
(2014)
Phys. Rev. B
, vol.90
, pp. 035204
-
-
Erhart, P.1
Klein, A.2
Berg, D.3
Sadigh, B.4
-
5
-
-
0000953029
-
Electron spin resonance of V1-Centers
-
Knzig, W. Electron spin resonance of V1-Centers. Phys. Rev. 99, 1890 (1955).
-
(1955)
Phys. Rev.
, vol.99
, pp. 1890
-
-
Knzig, W.1
-
6
-
-
0037437935
-
Modeling charge self-trapping in widegap dielectrics: Localization problem in local density functionals
-
Gavartin, J. L., Sushko, P. V. & Shluger, A. L. Modeling charge self-trapping in widegap dielectrics: Localization problem in local density functionals. Phys. Rev. B 67, 035108 (2003).
-
(2003)
Phys. Rev. B
, vol.67
, pp. 035108
-
-
Gavartin, J.L.1
Sushko, P.V.2
Shluger, A.L.3
-
7
-
-
84940063683
-
Variational polaron self-interaction-corrected total-energy functional for charge excitations in insulators
-
Sadigh, B., Erhart, P. & Berg, D. Variational polaron self-interaction-corrected total-energy functional for charge excitations in insulators. Phys. Rev. B 92, 075202 (2015).
-
(2015)
Phys. Rev. B
, vol.92
, pp. 075202
-
-
Sadigh, B.1
Erhart, P.2
Berg, D.3
-
8
-
-
0001437693
-
Band theory and Mott insulators: Hubbard-U instead of Stoner-I
-
Anisimov, V. I., Zaanen, J. & Andersen, O. K. Band theory and Mott insulators: Hubbard-U instead of Stoner-I. Phys. Rev. B Condens. Matter 44, 943-954 (1991).
-
(1991)
Phys. Rev. B Condens. Matter
, vol.44
, pp. 943-954
-
-
Anisimov, V.I.1
Zaanen, J.2
Andersen, O.K.3
-
9
-
-
70349472607
-
Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors
-
Lany, S. & Zunger, A. Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors. Phys. Rev. B 80, 085202 (2009).
-
(2009)
Phys. Rev. B
, vol.80
, pp. 085202
-
-
Lany, S.1
Zunger, A.2
-
10
-
-
84863691013
-
Energy transport and scintillation of cerium-doped elpasolite Cs2LiYCl6: Hybrid density functional calculations
-
Biswas, K. & Du, M.-H. Energy transport and scintillation of cerium-doped elpasolite Cs2LiYCl6: hybrid density functional calculations. Phys. Rev. B 86, 014102 (2012).
-
(2012)
Phys. Rev. B
, vol.86
, pp. 014102
-
-
Biswas, K.1
Du, M.-H.2
-
11
-
-
40049100659
-
Strontium and barium iodide high light yield scintillators
-
Cherepy N. J. et al. Strontium and barium iodide high light yield scintillators. Appl. Phys. Lett. 92, 083508 (2008).
-
(2008)
Appl. Phys. Lett.
, vol.92
, pp. 083508
-
-
Cherepy, N.J.1
-
12
-
-
57649095423
-
Strontium iodide scintillators for high energy resolution gamma ray spectroscopy
-
Wilson, C. M. et al. Strontium iodide scintillators for high energy resolution gamma ray spectroscopy. Proc. SPIE 7079, 707917 (2008).
-
(2008)
Proc. SPIE
, vol.7079
, pp. 707917
-
-
Wilson, C.M.1
-
13
-
-
67649202447
-
Scintillators with potential to supersede lanthanum bromide
-
Cherepy, N. J. et al. Scintillators with potential to supersede lanthanum bromide. IEEE Trans. Nucl. Sci. 56, 873-880 (2009).
-
(2009)
IEEE Trans. Nucl. Sci.
, vol.56
, pp. 873-880
-
-
Cherepy, N.J.1
-
14
-
-
84862626075
-
Nonproportional response and energy resolution of pure sri2 and sri2:5%eu scintillators
-
Alekhin, M., Khodyuk, I., de Haas, J. & Dorenbos, P. Nonproportional Response and Energy Resolution of Pure SrI2 and SrI2:5%Eu Scintillators. IEEE Trans. Nucl. Sci. 59, 665-670 (2012).
-
(2012)
IEEE Trans. Nucl. Sci.
, vol.59
, pp. 665-670
-
-
Alekhin, M.1
Khodyuk, I.2
De Haas, J.3
Dorenbos, P.4
-
15
-
-
84897732080
-
Quasiparticle spectra, absorption spectra, and excitonic properties of NaI and SrI2 from many-body perturbation theory
-
Erhart, P., Schleife, A., Sadigh, B. & Berg, D. Quasiparticle spectra, absorption spectra, and excitonic properties of NaI and SrI2 from many-body perturbation theory. Phys. Rev. B 89, 075132 (2014).
-
(2014)
Phys. Rev. B
, vol.89
, pp. 075132
-
-
Erhart, P.1
Schleife, A.2
Sadigh, B.3
Berg, D.4
-
16
-
-
0347713610
-
Highenergy-resolution scintillator: Ce3+ activated LaBr3
-
van Loef, E. V. D., Dorenbos, P., van Eijk, C. W. E., Krmer, K. & Gdel, H. U. Highenergy-resolution scintillator: Ce3+ activated LaBr3. Appl. Phys. Lett. 79, 1573 (2001).
-
(2001)
Appl. Phys. Lett.
, vol.79
, pp. 1573
-
-
Van Loef, E.V.D.1
Dorenbos, P.2
Van Eijk, C.W.E.3
Krmer, K.4
Gdel, H.U.5
-
17
-
-
84859219460
-
Electronic structure of LaBr3 from quasiparticle self-consistent GW calculations
-
Berg, D., Sadigh, B. & Erhart, P. Electronic structure of LaBr3 from quasiparticle self-consistent GW calculations. Phys. Rev. B 85, 125134 (2012).
-
(2012)
Phys. Rev. B
, vol.85
, pp. 125134
-
-
Berg, D.1
Sadigh, B.2
Erhart, P.3
-
18
-
-
0031240685
-
Electron and hole centres in the X-irradiated elpasolite crystal studied by means of electron paramagnetic resonance and electron nuclear double resonance
-
Pawlik, T. & Spaeth, J.-M. Electron and hole centres in the X-irradiated elpasolite crystal studied by means of electron paramagnetic resonance and electron nuclear double resonance. J. Phys. Condens. Matter 9, 8737 (1997).
-
(1997)
J. Phys. Condens. Matter
, vol.9
, pp. 8737
-
-
Pawlik, T.1
Spaeth, J.-M.2
-
19
-
-
1642294759
-
Spectroscopy and anomalous emission of Ce doped elpasolite Cs2LiYCl6
-
Bessire, A. et al. Spectroscopy and anomalous emission of Ce doped elpasolite Cs2LiYCl6. J. Phys. Condens. Matter 16, 1887 (2004).
-
(2004)
J. Phys. Condens. Matter
, vol.16
, pp. 1887
-
-
Bessire, A.1
-
20
-
-
4243943295
-
Generalized gradient approximation made simple
-
Perdew, J. P., Burke, K. & Ernzerhof, M. Generalized gradient approximation made simple. Phys. Rev. Lett. 77, 3865-3868 (1996).
-
(1996)
Phys. Rev. Lett.
, vol.77
, pp. 3865-3868
-
-
Perdew, J.P.1
Burke, K.2
Ernzerhof, M.3
-
21
-
-
0001475454
-
Toward reliable density functional methods without adjustable parameters: The PBE0 model
-
Adamo, C. & Barone, V. Toward reliable density functional methods without adjustable parameters: the PBE0 model. J. Chem. Phys. 110, 6158 (1999).
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 6158
-
-
Adamo, C.1
Barone, V.2
-
22
-
-
3643101287
-
Mechanism and kinetics of the diffusion of gold in silicon
-
Gsele, U., Frank, W. & Seeger, A. Mechanism and kinetics of the diffusion of gold in silicon. Appl. Phys. 23, 361-368 (1980).
-
(1980)
Appl. Phys.
, vol.23
, pp. 361-368
-
-
Gsele, U.1
Frank, W.2
Seeger, A.3
-
24
-
-
0037063085
-
Current trends in scintillator detectors and materials
-
Moses, W. W. Current trends in scintillator detectors and materials. Nucl. Instrum. Meth. A 487, 123-128 (2002).
-
(2002)
Nucl. Instrum. Meth. A
, vol.487
, pp. 123-128
-
-
Moses, W.W.1
-
26
-
-
0001575163
-
Scintillation response of activated inorganic crystals to various charged particles
-
Murray, R. B. & Meyer, A. Scintillation response of activated inorganic crystals to various charged particles. Phys. Rev. 122, 815-826 (1961).
-
(1961)
Phys. Rev.
, vol.122
, pp. 815-826
-
-
Murray, R.B.1
Meyer, A.2
-
27
-
-
0029548037
-
Non-proportionality in the scintillation response and the energy resolution obtainable with scintillation crystals
-
Dorenbos, P., de Haas, J. T. M. & van Eijk, C. W. E. Non-proportionality in the scintillation response and the energy resolution obtainable with scintillation crystals. IEEE Trans. Nucl. Sci. 42, 2190-2202 (1995).
-
(1995)
IEEE Trans. Nucl. Sci.
, vol.42
, pp. 2190-2202
-
-
Dorenbos, P.1
De Haas, J.T.M.2
Van Eijk, C.W.E.3
-
28
-
-
45849106183
-
From luminescence non-linearity to scintillation non-proportionality
-
Vasilev, A. V. From luminescence non-linearity to scintillation non-proportionality. IEEE Trans. Nucl. Sci. 55, 1054 (2008).
-
(2008)
IEEE Trans. Nucl. Sci.
, vol.55
, pp. 1054
-
-
Vasilev, A.V.1
-
29
-
-
79960168041
-
A transport-based model of material trends in nonproportionality of scintillators
-
Li Q., Grim J. Q., Williams R. T., Bizarri G. A. & Moses W. W. A transport-based model of material trends in nonproportionality of scintillators. J. Appl. Phys. 109, 123716 (2011).
-
(2011)
J. Appl. Phys.
, vol.109
, pp. 123716
-
-
Li, Q.1
Grim, J.Q.2
Williams, R.T.3
Bizarri, G.A.4
Moses, W.W.5
-
31
-
-
84876983693
-
Improvement of ray energy resolution of LaBr3:Ce3+ scintillation detectors by Sr2+ and Ca2+ co-doping
-
Alekhin, M. S. et al. Improvement of ray energy resolution of LaBr3:Ce3+ scintillation detectors by Sr2+ and Ca2+ co-doping. Appl. Phys. Lett. 102, 161915 (2013).
-
(2013)
Appl. Phys. Lett.
, vol.102
, pp. 161915
-
-
Alekhin, M.S.1
-
32
-
-
84901783643
-
Origin of resolution enhancement by co-doping of scintillators: Insight from electronic structure calculations
-
Berg D., Sadigh B., Schleife A. & Erhart P. Origin of resolution enhancement by co-doping of scintillators: Insight from electronic structure calculations. Appl. Phys. Lett. 104, 211908 (2014).
-
(2014)
Appl. Phys. Lett.
, vol.104
, pp. 211908
-
-
Berg, D.1
Sadigh, B.2
Schleife, A.3
Erhart, P.4
-
33
-
-
84929176064
-
First-principles study of codoping in lanthanum bromide
-
Erhart, P., Sadigh, B., Schleife, A. & Berg, D. First-principles study of codoping in lanthanum bromide. Phys. Rev. B 91, 165206 (2015).
-
(2015)
Phys. Rev. B
, vol.91
, pp. 165206
-
-
Erhart, P.1
Sadigh, B.2
Schleife, A.3
Berg, D.4
-
34
-
-
67649553748
-
Computer simulation of the light yield nonlinearity of inorganic scintillators
-
Kerisit, S., Rosso, K. M., Cannon, B. D., Gao, F. & Xie, Y. Computer simulation of the light yield nonlinearity of inorganic scintillators. J. Appl. Phys. 105, 114915 (2009).
-
(2009)
J. Appl. Phys.
, vol.105
, pp. 114915
-
-
Kerisit, S.1
Rosso, K.M.2
Cannon, B.D.3
Gao, F.4
Xie, Y.5
-
36
-
-
78149425550
-
New AB2-type structure with septacoordinated cation
-
Brnighausen, H., Beck, H., Grueninger, H. W., Rietschel, E. T. & Schultz, N. New AB2-type structure with septacoordinated cation. Z. Krist 128, 430 (1969).
-
(1969)
Z. Krist
, vol.128
, pp. 430
-
-
Brnighausen, H.1
Beck, H.2
Grueninger, H.W.3
Rietschel, E.T.4
Schultz, N.5
-
37
-
-
25744460922
-
Projector augmented-wave method
-
Blchl, P. E. Projector augmented-wave method. Phys. Rev. B 50, 17953-17979 (1994).
-
(1994)
Phys. Rev. B
, vol.50
, pp. 17953-17979
-
-
Blchl, P.E.1
-
38
-
-
0011236321
-
From ultrasoft pseudopotentials to the projector augmented-wave method
-
Kresse, G. & Joubert, D. From ultrasoft pseudopotentials to the projector augmented-wave method. Phys. Rev. B 59, 1758-1775 (1999).
-
(1999)
Phys. Rev. B
, vol.59
, pp. 1758-1775
-
-
Kresse, G.1
Joubert, D.2
-
39
-
-
57749196971
-
Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: Case studies for ZnO and GaAs
-
Lany, S. & Zunger, A. Assessment of correction methods for the band-gap problem and for finite-size effects in supercell defect calculations: case studies for ZnO and GaAs. Phys. Rev. B 78, 235104 (2008).
-
(2008)
Phys. Rev. B
, vol.78
, pp. 235104
-
-
Lany, S.1
Zunger, A.2
-
40
-
-
0001671054
-
Periodic boundary conditions in ab initio calculations
-
Makov, G. & Payne, M. C. Periodic boundary conditions in ab initio calculations. Phys. Rev. B 51, 4014 (1995).
-
(1995)
Phys. Rev. B
, vol.51
, pp. 4014
-
-
Makov, G.1
Payne, M.C.2
-
41
-
-
84908458191
-
Lattice anharmonicity and thermal conductivity from compressive sensingof first-principles calculations
-
Zhou, F., Nielson, W., Xia, Y. & Ozolins, V. Lattice anharmonicity and thermal conductivity from compressive sensingof first-principles calculations. Phys. Rev. Lett. 113, 185501 (2014).
-
(2014)
Phys. Rev. Lett.
, vol.113
, pp. 185501
-
-
Zhou, F.1
Nielson, W.2
Xia, Y.3
Ozolins, V.4
-
42
-
-
0034513054
-
A climbing image nudged elastic band method for finding saddle points and minimum energy paths
-
Henkelman, G., Uberuaga, B. P. & Jonsson, H. A climbing image nudged elastic band method for finding saddle points and minimum energy paths. J. Chem. Phys. 113, 9901-9904 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 9901-9904
-
-
Henkelman, G.1
Uberuaga, B.P.2
Jonsson, H.3
-
43
-
-
1242329035
-
Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points
-
Henkelman, G. & Jonsson, H. Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points. J. Chem. Phys. 113, 9978 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 9978
-
-
Henkelman, G.1
Jonsson, H.2
|