Effect of cation doping on tuning intrinsic defects in LuI

LuI3:Ce is considered to be a candidate scintillator in radiation detectors for high energy physics and nuclear medicine due to high light yield. However, slow decay induced by energy transfer from self-trapped excitons on intrinsic defects to Ce limits the time resolution of detectors. The effect o...
Ausführliche Beschreibung

Gespeichert in:

Autor*in:	Zhu, Jiajie [verfasserIn] Gu, Mu [verfasserIn] Jia, Lingchun [verfasserIn] Song, Ge [verfasserIn]

Format:	E-Artikel
Sprache:	Englisch

Erschienen:	2019

Schlagwörter:	LuI Cation doping Formation energy Charge balance

Übergeordnetes Werk:	Enthalten in: Journal of luminescence - New York, NY [u.a.] : Elsevier, 1970, 212, Seite 238-241
Übergeordnetes Werk:	volume:212 ; pages:238-241

DOI / URN:	10.1016/j.jlumin.2019.04.003

Katalog-ID:	ELV00228782X

Internformat


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520			\|a LuI3:Ce is considered to be a candidate scintillator in radiation detectors for high energy physics and nuclear medicine due to high light yield. However, slow decay induced by energy transfer from self-trapped excitons on intrinsic defects to Ce limits the time resolution of detectors. The effect of Li, Cu, Mg, and Zn doping on tuning the intrinsic defects in LuI3 are investigated using first-principles calculations. The thermodynamic levels introduced by the Lu interstitials and the I vacancies turn out to match emission energies of the self-trapped excitons. The cation interstitials enhance the formation energies of the Lu interstitials and I vacancies because of charge balance. Importantly, Mg doping is demonstrated to effectively suppress the Lu interstitials and the I vacancies in LuI3
650		4	\|a LuI
650		4	\|a Cation doping
650		4	\|a Formation energy
650		4	\|a Charge balance
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700	1		\|a Jia, Lingchun \|e verfasserin \|4 aut
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matchkey_str	article:00222313:2019----::fetfainoignuignrni
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publishDate	2019
allfields	10.1016/j.jlumin.2019.04.003 doi (DE-627)ELV00228782X (ELSEVIER)S0022-2313(18)32321-4 DE-627 ger DE-627 rda eng 530 DE-600 33.00 bkl Zhu, Jiajie verfasserin aut Effect of cation doping on tuning intrinsic defects in LuI 2019 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier LuI3:Ce is considered to be a candidate scintillator in radiation detectors for high energy physics and nuclear medicine due to high light yield. However, slow decay induced by energy transfer from self-trapped excitons on intrinsic defects to Ce limits the time resolution of detectors. The effect of Li, Cu, Mg, and Zn doping on tuning the intrinsic defects in LuI3 are investigated using first-principles calculations. The thermodynamic levels introduced by the Lu interstitials and the I vacancies turn out to match emission energies of the self-trapped excitons. The cation interstitials enhance the formation energies of the Lu interstitials and I vacancies because of charge balance. Importantly, Mg doping is demonstrated to effectively suppress the Lu interstitials and the I vacancies in LuI3 LuI Cation doping Formation energy Charge balance Gu, Mu verfasserin aut Jia, Lingchun verfasserin aut Song, Ge verfasserin aut Enthalten in Journal of luminescence New York, NY [u.a.] : Elsevier, 1970 212, Seite 238-241 Online-Ressource (DE-627)302468749 (DE-600)1491401-3 (DE-576)120883473 0022-2313 nnns volume:212 pages:238-241 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 33.00 Physik: Allgemeines AR 212 238-241
spelling	10.1016/j.jlumin.2019.04.003 doi (DE-627)ELV00228782X (ELSEVIER)S0022-2313(18)32321-4 DE-627 ger DE-627 rda eng 530 DE-600 33.00 bkl Zhu, Jiajie verfasserin aut Effect of cation doping on tuning intrinsic defects in LuI 2019 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier LuI3:Ce is considered to be a candidate scintillator in radiation detectors for high energy physics and nuclear medicine due to high light yield. However, slow decay induced by energy transfer from self-trapped excitons on intrinsic defects to Ce limits the time resolution of detectors. The effect of Li, Cu, Mg, and Zn doping on tuning the intrinsic defects in LuI3 are investigated using first-principles calculations. The thermodynamic levels introduced by the Lu interstitials and the I vacancies turn out to match emission energies of the self-trapped excitons. The cation interstitials enhance the formation energies of the Lu interstitials and I vacancies because of charge balance. Importantly, Mg doping is demonstrated to effectively suppress the Lu interstitials and the I vacancies in LuI3 LuI Cation doping Formation energy Charge balance Gu, Mu verfasserin aut Jia, Lingchun verfasserin aut Song, Ge verfasserin aut Enthalten in Journal of luminescence New York, NY [u.a.] : Elsevier, 1970 212, Seite 238-241 Online-Ressource (DE-627)302468749 (DE-600)1491401-3 (DE-576)120883473 0022-2313 nnns volume:212 pages:238-241 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 33.00 Physik: Allgemeines AR 212 238-241
allfields_unstemmed	10.1016/j.jlumin.2019.04.003 doi (DE-627)ELV00228782X (ELSEVIER)S0022-2313(18)32321-4 DE-627 ger DE-627 rda eng 530 DE-600 33.00 bkl Zhu, Jiajie verfasserin aut Effect of cation doping on tuning intrinsic defects in LuI 2019 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier LuI3:Ce is considered to be a candidate scintillator in radiation detectors for high energy physics and nuclear medicine due to high light yield. However, slow decay induced by energy transfer from self-trapped excitons on intrinsic defects to Ce limits the time resolution of detectors. The effect of Li, Cu, Mg, and Zn doping on tuning the intrinsic defects in LuI3 are investigated using first-principles calculations. The thermodynamic levels introduced by the Lu interstitials and the I vacancies turn out to match emission energies of the self-trapped excitons. The cation interstitials enhance the formation energies of the Lu interstitials and I vacancies because of charge balance. Importantly, Mg doping is demonstrated to effectively suppress the Lu interstitials and the I vacancies in LuI3 LuI Cation doping Formation energy Charge balance Gu, Mu verfasserin aut Jia, Lingchun verfasserin aut Song, Ge verfasserin aut Enthalten in Journal of luminescence New York, NY [u.a.] : Elsevier, 1970 212, Seite 238-241 Online-Ressource (DE-627)302468749 (DE-600)1491401-3 (DE-576)120883473 0022-2313 nnns volume:212 pages:238-241 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 33.00 Physik: Allgemeines AR 212 238-241
allfieldsGer	10.1016/j.jlumin.2019.04.003 doi (DE-627)ELV00228782X (ELSEVIER)S0022-2313(18)32321-4 DE-627 ger DE-627 rda eng 530 DE-600 33.00 bkl Zhu, Jiajie verfasserin aut Effect of cation doping on tuning intrinsic defects in LuI 2019 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier LuI3:Ce is considered to be a candidate scintillator in radiation detectors for high energy physics and nuclear medicine due to high light yield. However, slow decay induced by energy transfer from self-trapped excitons on intrinsic defects to Ce limits the time resolution of detectors. The effect of Li, Cu, Mg, and Zn doping on tuning the intrinsic defects in LuI3 are investigated using first-principles calculations. The thermodynamic levels introduced by the Lu interstitials and the I vacancies turn out to match emission energies of the self-trapped excitons. The cation interstitials enhance the formation energies of the Lu interstitials and I vacancies because of charge balance. Importantly, Mg doping is demonstrated to effectively suppress the Lu interstitials and the I vacancies in LuI3 LuI Cation doping Formation energy Charge balance Gu, Mu verfasserin aut Jia, Lingchun verfasserin aut Song, Ge verfasserin aut Enthalten in Journal of luminescence New York, NY [u.a.] : Elsevier, 1970 212, Seite 238-241 Online-Ressource (DE-627)302468749 (DE-600)1491401-3 (DE-576)120883473 0022-2313 nnns volume:212 pages:238-241 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 33.00 Physik: Allgemeines AR 212 238-241
allfieldsSound	10.1016/j.jlumin.2019.04.003 doi (DE-627)ELV00228782X (ELSEVIER)S0022-2313(18)32321-4 DE-627 ger DE-627 rda eng 530 DE-600 33.00 bkl Zhu, Jiajie verfasserin aut Effect of cation doping on tuning intrinsic defects in LuI 2019 nicht spezifiziert zzz rdacontent Computermedien c rdamedia Online-Ressource cr rdacarrier LuI3:Ce is considered to be a candidate scintillator in radiation detectors for high energy physics and nuclear medicine due to high light yield. However, slow decay induced by energy transfer from self-trapped excitons on intrinsic defects to Ce limits the time resolution of detectors. The effect of Li, Cu, Mg, and Zn doping on tuning the intrinsic defects in LuI3 are investigated using first-principles calculations. The thermodynamic levels introduced by the Lu interstitials and the I vacancies turn out to match emission energies of the self-trapped excitons. The cation interstitials enhance the formation energies of the Lu interstitials and I vacancies because of charge balance. Importantly, Mg doping is demonstrated to effectively suppress the Lu interstitials and the I vacancies in LuI3 LuI Cation doping Formation energy Charge balance Gu, Mu verfasserin aut Jia, Lingchun verfasserin aut Song, Ge verfasserin aut Enthalten in Journal of luminescence New York, NY [u.a.] : Elsevier, 1970 212, Seite 238-241 Online-Ressource (DE-627)302468749 (DE-600)1491401-3 (DE-576)120883473 0022-2313 nnns volume:212 pages:238-241 GBV_USEFLAG_U SYSFLAG_U GBV_ELV GBV_ILN_20 GBV_ILN_22 GBV_ILN_23 GBV_ILN_24 GBV_ILN_31 GBV_ILN_32 GBV_ILN_40 GBV_ILN_60 GBV_ILN_62 GBV_ILN_63 GBV_ILN_65 GBV_ILN_69 GBV_ILN_70 GBV_ILN_73 GBV_ILN_74 GBV_ILN_90 GBV_ILN_95 GBV_ILN_100 GBV_ILN_101 GBV_ILN_105 GBV_ILN_110 GBV_ILN_150 GBV_ILN_151 GBV_ILN_224 GBV_ILN_370 GBV_ILN_602 GBV_ILN_702 GBV_ILN_2003 GBV_ILN_2004 GBV_ILN_2005 GBV_ILN_2011 GBV_ILN_2014 GBV_ILN_2015 GBV_ILN_2020 GBV_ILN_2021 GBV_ILN_2025 GBV_ILN_2027 GBV_ILN_2034 GBV_ILN_2038 GBV_ILN_2044 GBV_ILN_2048 GBV_ILN_2049 GBV_ILN_2050 GBV_ILN_2056 GBV_ILN_2059 GBV_ILN_2061 GBV_ILN_2064 GBV_ILN_2065 GBV_ILN_2068 GBV_ILN_2111 GBV_ILN_2112 GBV_ILN_2113 GBV_ILN_2118 GBV_ILN_2122 GBV_ILN_2129 GBV_ILN_2143 GBV_ILN_2147 GBV_ILN_2148 GBV_ILN_2152 GBV_ILN_2153 GBV_ILN_2190 GBV_ILN_2336 GBV_ILN_2507 GBV_ILN_2522 GBV_ILN_4035 GBV_ILN_4037 GBV_ILN_4112 GBV_ILN_4125 GBV_ILN_4126 GBV_ILN_4242 GBV_ILN_4251 GBV_ILN_4305 GBV_ILN_4313 GBV_ILN_4323 GBV_ILN_4324 GBV_ILN_4326 GBV_ILN_4333 GBV_ILN_4334 GBV_ILN_4335 GBV_ILN_4338 GBV_ILN_4393 33.00 Physik: Allgemeines AR 212 238-241
language	English
source	Enthalten in Journal of luminescence 212, Seite 238-241 volume:212 pages:238-241
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topic_facet	LuI Cation doping Formation energy Charge balance
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authorswithroles_txt_mv	Zhu, Jiajie @@aut@@ Gu, Mu @@aut@@ Jia, Lingchun @@aut@@ Song, Ge @@aut@@
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author	Zhu, Jiajie
spellingShingle	Zhu, Jiajie ddc 530 bkl 33.00 misc LuI misc Cation doping misc Formation energy misc Charge balance Effect of cation doping on tuning intrinsic defects in LuI
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topic_title	530 DE-600 33.00 bkl Effect of cation doping on tuning intrinsic defects in LuI LuI Cation doping Formation energy Charge balance
topic	ddc 530 bkl 33.00 misc LuI misc Cation doping misc Formation energy misc Charge balance
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title	Effect of cation doping on tuning intrinsic defects in LuI
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title_full	Effect of cation doping on tuning intrinsic defects in LuI
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title_sort	effect of cation doping on tuning intrinsic defects in lui
title_auth	Effect of cation doping on tuning intrinsic defects in LuI
abstract	LuI3:Ce is considered to be a candidate scintillator in radiation detectors for high energy physics and nuclear medicine due to high light yield. However, slow decay induced by energy transfer from self-trapped excitons on intrinsic defects to Ce limits the time resolution of detectors. The effect of Li, Cu, Mg, and Zn doping on tuning the intrinsic defects in LuI3 are investigated using first-principles calculations. The thermodynamic levels introduced by the Lu interstitials and the I vacancies turn out to match emission energies of the self-trapped excitons. The cation interstitials enhance the formation energies of the Lu interstitials and I vacancies because of charge balance. Importantly, Mg doping is demonstrated to effectively suppress the Lu interstitials and the I vacancies in LuI3
abstractGer	LuI3:Ce is considered to be a candidate scintillator in radiation detectors for high energy physics and nuclear medicine due to high light yield. However, slow decay induced by energy transfer from self-trapped excitons on intrinsic defects to Ce limits the time resolution of detectors. The effect of Li, Cu, Mg, and Zn doping on tuning the intrinsic defects in LuI3 are investigated using first-principles calculations. The thermodynamic levels introduced by the Lu interstitials and the I vacancies turn out to match emission energies of the self-trapped excitons. The cation interstitials enhance the formation energies of the Lu interstitials and I vacancies because of charge balance. Importantly, Mg doping is demonstrated to effectively suppress the Lu interstitials and the I vacancies in LuI3
abstract_unstemmed	LuI3:Ce is considered to be a candidate scintillator in radiation detectors for high energy physics and nuclear medicine due to high light yield. However, slow decay induced by energy transfer from self-trapped excitons on intrinsic defects to Ce limits the time resolution of detectors. The effect of Li, Cu, Mg, and Zn doping on tuning the intrinsic defects in LuI3 are investigated using first-principles calculations. The thermodynamic levels introduced by the Lu interstitials and the I vacancies turn out to match emission energies of the self-trapped excitons. The cation interstitials enhance the formation energies of the Lu interstitials and I vacancies because of charge balance. Importantly, Mg doping is demonstrated to effectively suppress the Lu interstitials and the I vacancies in LuI3
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title_short	Effect of cation doping on tuning intrinsic defects in LuI
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doi_str	10.1016/j.jlumin.2019.04.003
up_date	2024-07-07T00:13:52.217Z
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However, slow decay induced by energy transfer from self-trapped excitons on intrinsic defects to Ce limits the time resolution of detectors. The effect of Li, Cu, Mg, and Zn doping on tuning the intrinsic defects in LuI3 are investigated using first-principles calculations. The thermodynamic levels introduced by the Lu interstitials and the I vacancies turn out to match emission energies of the self-trapped excitons. The cation interstitials enhance the formation energies of the Lu interstitials and I vacancies because of charge balance. 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Effect of cation doping on tuning intrinsic defects in LuI

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