TlBr and TlBr I1− crystals for γ-ray detectors

Churilov, A.; Ciampi, Guido; Kim, Hadong; Higgins, William E.; Cirignano, L.; Olschner, F.; Biteman, V. B.; Minchello, Mark; Shah, K.S.

doi:10.1016/j.jcrysgro.2009.10.055

Cited by 29 publications

(24 citation statements)

References 15 publications

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“…Zone refining was then conducted for 90e100 passes at a molten zone travel speed of 4.4 cm/h. These refining parameters are comparable to those used in previous works (Churilov et al, 2010), (Churilov et al, 2009), and (Cuna et al, 2003). The Impurity analysis was carried out by ICP-AES and the result is summarized in Table 3.…”

Section: Bii 3 Ultra-pure Powder Synthesissupporting

confidence: 59%

Growth, fabrication, and testing of bismuth tri-iodide semiconductor radiation detectors

Gokhale

Han

Baciak

et al. 2015

Radiation Measurements

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Section: Bii 3 Ultra-pure Powder Synthesissupporting

confidence: 59%

Growth, fabrication, and testing of bismuth tri-iodide semiconductor radiation detectors

Gokhale

Han

Baciak

et al. 2015

Radiation Measurements

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“…Microindentation measurements revealed a Knoop hardness of 106 ± 3 kg mm −2 for Pb 2 P 2 Se 6 (Figure S6, Supporting Information), which is significantly harder than CZT (60–80 kg mm −2 )[1b], and TlBr (12 kg mm −2 ). [1b], The superior hardness suggests that simpler postgrowth processes and device fabrication methods can be implemented for the future development of Pb 2 P 2 Se 6 .…”

Section: Resultsmentioning

confidence: 99%

Hard Radiation Detection from the Selenophosphate Pb₂P₂Se₆

Wang

Liu

Chen

et al. 2015

Adv Funct Materials

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The heavy metal selenophosphate, Pb2P2Se6, is a promising new material for cost‐effective X‐ray/γ‐ray detection. Crystal boules of Pb2P2Se6 up to 25 mm in length and 15 mm in diameter are grown by a vertical Bridgman method. They are cut and processed into size‐appropriate wafers for physical, photo‐transport property studies, as well as γ‐ray detector testing. The material is a semiconductor with an indirect bandgap of 1.88 eV and has electrical resistivity in the range of 1 × 1010 Ω cm. Pb2P2Se6 single crystal samples display a significant photoconductivity response to optical, X‐ray, and γ‐ray radiation. When tested with a 57Co γ‐ray source, Pb2P2Se6 crystals show spectroscopic response and several generated pulse height spectra resolving the 122.1 and 136.5 keV 57Co radiation. The mobility–lifetime product of Pb2P2Se6 is estimated to be ≈3.5 × 10−5 cm2 V−1 for electron carriers. The Pb2P2Se6 compound melts congruently at 812 °C and has robust chemical/physical properties that promise low cost bulk production and detector development.

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“…The ground state for TlBr is the CsCl structure [70] and correctly predicted by all functionals, except in SCAN, which stabilizes the orthorhombic structure (space group Cmcm), a prototype which has never been observed experimentally for this chemistry. In fact, this Cmcm structure is actually the ground state for TlI, although it can be observed in ternary Tl-Br-I phases, TlBr1-xIx, where x > 0.3 [71]. The ground state of TlI contains seven-fold coordinated environments, where five of the bonds are coordinated in a rectangular pyramid (one bond is 3.36 Å and the other four are 3.49 Å) and the last two bonds are longer, at 3.83 Å. Samara et.…”

Section: Tlbrmentioning

confidence: 96%

Rationalizing accurate structure prediction in the meta-GGA SCAN functional

2019

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The ability of first-principles computational methods to reproduce ground-state crystal structure selection is key to their application in the discovery of new materials, and yet presents a formidable challenge due to the low energy scale of the problem and lack of systematic error cancellation. The recently-developed Strongly Constrained and Appropriately Normed (SCAN) functional is notable for accurately calculating physical properties such as formation energies and in particular, correctly predicting ground state structures. Here, we attempt to rationalize the improved structure prediction accuracy in SCAN by investigating the relationship between preferred coordination environments, the description of attractive van der Waals (vdW) interactions, and the overall ground state prediction in bulk main group solids. We observe a systematic under-coordination error in the traditional Perdew, Burke, and Ernzerhof (PBE) functional which is not present in SCAN results and find that semi-empirical dispersion corrections in the form of PBE+D3 fail to correct this error in a consistent or physical manner. We conclude that the medium-range vdW interaction is correctly parameterized in SCAN and yields meaningful relative energies between coordination environments.

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TlBr and TlBr I1− crystals for γ-ray detectors

Cited by 29 publications

References 15 publications

Growth, fabrication, and testing of bismuth tri-iodide semiconductor radiation detectors

Growth, fabrication, and testing of bismuth tri-iodide semiconductor radiation detectors

Hard Radiation Detection from the Selenophosphate Pb₂P₂Se₆

Rationalizing accurate structure prediction in the meta-GGA SCAN functional

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TlBr and TlBr I1− crystals for γ-ray detectors

Cited by 29 publications

References 15 publications

Growth, fabrication, and testing of bismuth tri-iodide semiconductor radiation detectors

Growth, fabrication, and testing of bismuth tri-iodide semiconductor radiation detectors

Hard Radiation Detection from the Selenophosphate Pb2P2Se6

Rationalizing accurate structure prediction in the meta-GGA SCAN functional

Contact Info

Product

Resources

About

Hard Radiation Detection from the Selenophosphate Pb₂P₂Se₆