Refined Synthesis and Crystal Growth of Pb2P2Se6 for Hard Radiation Detectors

Peng L. Wang, Svetlana S. Kostina, Fang Meng, Oleg Y. Kontsevoi, Zhifu Liu, Pice Chen, John A. Peters, Micah Hanson, Yihui He, Duck Young Chung, Arthur J Freeman, Bruce W. Wessels, Mercouri G Kanatzidis

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

The refined synthesis and optimized crystal growth of high quality Pb2P2Se6 single crystals are reported. Improved experimental procedures were implemented to reduce the oxygen contamination and improve the stoichiometry of the single crystal samples. The impact of oxygen contamination and the nature of the stoichiometry deviation in the Pb2P2Se6 system were studied by first-principles density functional theory (DFT) electronic structure calculations as well as experimental methods. The DFT calculations indicated that the presence of interstitial oxygen atoms (Oint) leads to the formation of a deep level located near the middle of the gap, as well as a shallow acceptor level near the valence band maximum. In addition, total energy calculations of the heat of formation of Pb2P2Se6 suggest that the region of thermodynamic stability is sufficiently wide. By refining the preparative procedures, high quality Pb2P2Se6 single crystal samples were reproducibly obtained. These Pb2P2Se6 single crystals exhibited excellent optical transparency, electrical resistivity in the range of 1011 Ω·cm, and a significant increase in photoconductivity. Infrared photoluminescence of the Pb2P2Se6 single crystals was observed over the temperature range of 15-75 K. Detectors fabricated from boules yielded a clear spectroscopic response to both Ag Kα X-ray and 57Co γ-ray radiation. The electron and hole mobility-lifetime product (μτ) of the current Pb2P2Se6 detectors were estimated to be 3.1 × 10-4 and 4.8 × 10-5 cm2/V, respectively.

Original languageEnglish
Pages (from-to)5100-5109
Number of pages10
JournalCrystal Growth and Design
Volume16
Issue number9
DOIs
Publication statusPublished - Sep 7 2016

Fingerprint

Radiation detectors
radiation detectors
Crystallization
Crystal growth
crystal growth
Single crystals
single crystals
synthesis
Oxygen
Stoichiometry
Density functional theory
stoichiometry
contamination
Contamination
boules
density functional theory
Detectors
Hole mobility
Electron mobility
detectors

ASJC Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

Cite this

Refined Synthesis and Crystal Growth of Pb2P2Se6 for Hard Radiation Detectors. / Wang, Peng L.; Kostina, Svetlana S.; Meng, Fang; Kontsevoi, Oleg Y.; Liu, Zhifu; Chen, Pice; Peters, John A.; Hanson, Micah; He, Yihui; Chung, Duck Young; Freeman, Arthur J; Wessels, Bruce W.; Kanatzidis, Mercouri G.

In: Crystal Growth and Design, Vol. 16, No. 9, 07.09.2016, p. 5100-5109.

Research output: Contribution to journalArticle

Wang, PL, Kostina, SS, Meng, F, Kontsevoi, OY, Liu, Z, Chen, P, Peters, JA, Hanson, M, He, Y, Chung, DY, Freeman, AJ, Wessels, BW & Kanatzidis, MG 2016, 'Refined Synthesis and Crystal Growth of Pb2P2Se6 for Hard Radiation Detectors', Crystal Growth and Design, vol. 16, no. 9, pp. 5100-5109. https://doi.org/10.1021/acs.cgd.6b00684
Wang PL, Kostina SS, Meng F, Kontsevoi OY, Liu Z, Chen P et al. Refined Synthesis and Crystal Growth of Pb2P2Se6 for Hard Radiation Detectors. Crystal Growth and Design. 2016 Sep 7;16(9):5100-5109. https://doi.org/10.1021/acs.cgd.6b00684
Wang, Peng L. ; Kostina, Svetlana S. ; Meng, Fang ; Kontsevoi, Oleg Y. ; Liu, Zhifu ; Chen, Pice ; Peters, John A. ; Hanson, Micah ; He, Yihui ; Chung, Duck Young ; Freeman, Arthur J ; Wessels, Bruce W. ; Kanatzidis, Mercouri G. / Refined Synthesis and Crystal Growth of Pb2P2Se6 for Hard Radiation Detectors. In: Crystal Growth and Design. 2016 ; Vol. 16, No. 9. pp. 5100-5109.
@article{b1bf2c77a45d4b02baa6a373fe5d2192,
title = "Refined Synthesis and Crystal Growth of Pb2P2Se6 for Hard Radiation Detectors",
abstract = "The refined synthesis and optimized crystal growth of high quality Pb2P2Se6 single crystals are reported. Improved experimental procedures were implemented to reduce the oxygen contamination and improve the stoichiometry of the single crystal samples. The impact of oxygen contamination and the nature of the stoichiometry deviation in the Pb2P2Se6 system were studied by first-principles density functional theory (DFT) electronic structure calculations as well as experimental methods. The DFT calculations indicated that the presence of interstitial oxygen atoms (Oint) leads to the formation of a deep level located near the middle of the gap, as well as a shallow acceptor level near the valence band maximum. In addition, total energy calculations of the heat of formation of Pb2P2Se6 suggest that the region of thermodynamic stability is sufficiently wide. By refining the preparative procedures, high quality Pb2P2Se6 single crystal samples were reproducibly obtained. These Pb2P2Se6 single crystals exhibited excellent optical transparency, electrical resistivity in the range of 1011 Ω·cm, and a significant increase in photoconductivity. Infrared photoluminescence of the Pb2P2Se6 single crystals was observed over the temperature range of 15-75 K. Detectors fabricated from boules yielded a clear spectroscopic response to both Ag Kα X-ray and 57Co γ-ray radiation. The electron and hole mobility-lifetime product (μτ) of the current Pb2P2Se6 detectors were estimated to be 3.1 × 10-4 and 4.8 × 10-5 cm2/V, respectively.",
author = "Wang, {Peng L.} and Kostina, {Svetlana S.} and Fang Meng and Kontsevoi, {Oleg Y.} and Zhifu Liu and Pice Chen and Peters, {John A.} and Micah Hanson and Yihui He and Chung, {Duck Young} and Freeman, {Arthur J} and Wessels, {Bruce W.} and Kanatzidis, {Mercouri G}",
year = "2016",
month = "9",
day = "7",
doi = "10.1021/acs.cgd.6b00684",
language = "English",
volume = "16",
pages = "5100--5109",
journal = "Crystal Growth and Design",
issn = "1528-7483",
publisher = "American Chemical Society",
number = "9",

}

TY - JOUR

T1 - Refined Synthesis and Crystal Growth of Pb2P2Se6 for Hard Radiation Detectors

AU - Wang, Peng L.

AU - Kostina, Svetlana S.

AU - Meng, Fang

AU - Kontsevoi, Oleg Y.

AU - Liu, Zhifu

AU - Chen, Pice

AU - Peters, John A.

AU - Hanson, Micah

AU - He, Yihui

AU - Chung, Duck Young

AU - Freeman, Arthur J

AU - Wessels, Bruce W.

AU - Kanatzidis, Mercouri G

PY - 2016/9/7

Y1 - 2016/9/7

N2 - The refined synthesis and optimized crystal growth of high quality Pb2P2Se6 single crystals are reported. Improved experimental procedures were implemented to reduce the oxygen contamination and improve the stoichiometry of the single crystal samples. The impact of oxygen contamination and the nature of the stoichiometry deviation in the Pb2P2Se6 system were studied by first-principles density functional theory (DFT) electronic structure calculations as well as experimental methods. The DFT calculations indicated that the presence of interstitial oxygen atoms (Oint) leads to the formation of a deep level located near the middle of the gap, as well as a shallow acceptor level near the valence band maximum. In addition, total energy calculations of the heat of formation of Pb2P2Se6 suggest that the region of thermodynamic stability is sufficiently wide. By refining the preparative procedures, high quality Pb2P2Se6 single crystal samples were reproducibly obtained. These Pb2P2Se6 single crystals exhibited excellent optical transparency, electrical resistivity in the range of 1011 Ω·cm, and a significant increase in photoconductivity. Infrared photoluminescence of the Pb2P2Se6 single crystals was observed over the temperature range of 15-75 K. Detectors fabricated from boules yielded a clear spectroscopic response to both Ag Kα X-ray and 57Co γ-ray radiation. The electron and hole mobility-lifetime product (μτ) of the current Pb2P2Se6 detectors were estimated to be 3.1 × 10-4 and 4.8 × 10-5 cm2/V, respectively.

AB - The refined synthesis and optimized crystal growth of high quality Pb2P2Se6 single crystals are reported. Improved experimental procedures were implemented to reduce the oxygen contamination and improve the stoichiometry of the single crystal samples. The impact of oxygen contamination and the nature of the stoichiometry deviation in the Pb2P2Se6 system were studied by first-principles density functional theory (DFT) electronic structure calculations as well as experimental methods. The DFT calculations indicated that the presence of interstitial oxygen atoms (Oint) leads to the formation of a deep level located near the middle of the gap, as well as a shallow acceptor level near the valence band maximum. In addition, total energy calculations of the heat of formation of Pb2P2Se6 suggest that the region of thermodynamic stability is sufficiently wide. By refining the preparative procedures, high quality Pb2P2Se6 single crystal samples were reproducibly obtained. These Pb2P2Se6 single crystals exhibited excellent optical transparency, electrical resistivity in the range of 1011 Ω·cm, and a significant increase in photoconductivity. Infrared photoluminescence of the Pb2P2Se6 single crystals was observed over the temperature range of 15-75 K. Detectors fabricated from boules yielded a clear spectroscopic response to both Ag Kα X-ray and 57Co γ-ray radiation. The electron and hole mobility-lifetime product (μτ) of the current Pb2P2Se6 detectors were estimated to be 3.1 × 10-4 and 4.8 × 10-5 cm2/V, respectively.

UR - http://www.scopus.com/inward/record.url?scp=84986208234&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=84986208234&partnerID=8YFLogxK

U2 - 10.1021/acs.cgd.6b00684

DO - 10.1021/acs.cgd.6b00684

M3 - Article

VL - 16

SP - 5100

EP - 5109

JO - Crystal Growth and Design

JF - Crystal Growth and Design

SN - 1528-7483

IS - 9

ER -