The Synthesis and Crystal Structure of Hg<sub>3</sub>TeI<sub>4</sub>

Wiedemeier, H.; Hutchins, Mark A.; Grin, Yuri; Feldmann, Claus; Schnering, H. G. von

doi:10.1002/zaac.19976231129

Cited by 7 publications

(3 citation statements)

References 20 publications

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“…The crystal chemistry in the ternary Hg–Q–X system is remarkably diverse. The most important family in this system is Hg 3 Q 2 X 2 (Q = S, Se, and Te; X = Cl, Br, and I), with numerous structural types. − Figure shows all of the known crystal structure types of the Hg 3 Q 2 X 2 compounds, which are thermodynamically stable at room temperature. Detailed crystallographic information is given in Table .…”

Section: Resultsmentioning

confidence: 99%

Defect Antiperovskite Compounds Hg₃Q₂I₂ (Q = S, Se, and Te) for Room-Temperature Hard Radiation Detection

Kontsevoi

Stoumpos

et al. 2017

J. Am. Chem. Soc.

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The high Z chalcohalides HgQI (Q = S, Se, and Te) can be regarded as of antiperovskite structure with ordered vacancies and are demonstrated to be very promising candidates for X- and γ-ray semiconductor detectors. Depending on Q, the ordering of the Hg vacancies in these defect antiperovskites varies and yields a rich family of distinct crystal structures ranging from zero-dimensional to three-dimensional, with a dramatic effect on the properties of each compound. All three HgQI compounds show very suitable optical, electrical, and good mechanical properties required for radiation detection at room temperature. These compounds possess a high density (>7 g/cm) and wide bandgaps (>1.9 eV), showing great stopping power for hard radiation and high intrinsic electrical resistivity, over 10 Ω cm. Large single crystals are grown using the vapor transport method, and each material shows excellent photo sensitivity under energetic photons. Detectors made from thin HgQI crystals show reasonable response under a series of radiation sources, including Am andCo radiation. The dimensionality of Hg-Q motifs (in terms of ordering patterns of Hg vacancies) has a strong influence on the conduction band structure, which gives the quasi one-dimensional HgSeI a more prominently dispersive conduction band structure and leads to a low electron effective mass (0.20 m). For HgSeI detectors, spectroscopic resolution is achieved for both Am α particles (5.49 MeV) andAm γ-rays (59.5 keV), with full widths at half-maximum (FWHM, in percentage) of 19% and 50%, respectively. The carrier mobility-lifetime μτ product for HgQI detectors is achieved as 10-10 cm/V. The electron mobility for HgSeI is estimated as 104 ± 12 cm/(V·s). On the basis of these results, HgSeI is the most promising for room-temperature radiation detection.

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Section: Resultsmentioning

confidence: 99%

Defect Antiperovskite Compounds Hg₃Q₂I₂ (Q = S, Se, and Te) for Room-Temperature Hard Radiation Detection

Kontsevoi

Stoumpos

et al. 2017

J. Am. Chem. Soc.

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“…In earlier phase diagram studies of the related HgTe-HgI 2 [16] and CdTe-HgI 2 [17] systems, no solubility of HgI 2 in HgTe or CdTe was observed. During the latter investigation [19], the formation of the previously unknown cubic phase Hg 3 TeI 4 was observed, the structure of which was recently determined [20]. During the latter investigation [19], the formation of the previously unknown cubic phase Hg 3 TeI 4 was observed, the structure of which was recently determined [20].…”

Section: Introductionmentioning

confidence: 88%

The Temperature-Composition Phase Equilibria in the Hg0.8Cd0.2Te-HgI2 Pseudobinary SystemBased on part of a thesis to be submitted by M. A. Hutchins to the Graduate School of Rensselaer Polytechnic Institute in partial fulfillment of the requirements for a Ph.D. degree.Dedicated to Professor Welf Bronger on the Occasion of his 70th Birthday

Hutchins

Wiedemeier

2002

Z. anorg. allg. Chem.

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“…Although synthesis of the square and hexagonal lattices of chalcogenides has not been achieved experimentally yet, orthorhombic lattices of MX compounds, which are analogous to phosphorene, have been successfully synthesized and extensively studied in recent years. [33][34][35] Phosphorene is a promising 2D material with unique electronic and mechanical properties [36] that are anisotropic due to its orthorhombic structure. The discovery of phosphorene led to the synthesis of Group IV-monochalcogenides, which include SnS, SnSe, GeS, and GeSe 33À 35 .…”

Section: Methodsmentioning

confidence: 99%

Metavalent Bonding in 2D Chalcogenides: Structural Origin and Chemical Mechanisms

Arora,

Waghmare,

Rao

2023

Angew Chem Int Ed

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An unusual set of anomalous functional properties of rocksalt crystals of Group IV chalcogenides were recently linked to a kind of bonding termed as metavalent bonding (MVB) which involves violation of the 8‐N rule. Precise mechanisms of MVB and the relevance of lone pair of Group IV cations are still debated. With restrictions of low dimensionality on the possible atomic coordination, 2D materials provide a rich platform for exploration of MVB. Here, we present first‐principles theoretical analysis of the nature of bonding in five distinct 2D lattices of Group IV chalcogenides MX (M: Sn, Pb, Ge and X: S, Se, Te), in which the natural out‐of‐plane expression of the lone pair versus in‐plane bonding can be systematically explored. While their honeycomb lattices respecting the 8‐N rule are shown to exhibit covalent bonding, their square and orthorhombic structures exhibit MVB only in‐plane, with cationic lone pair activating the out‐of‐plane structural puckering that controls their relative stability. Anomalies in Born‐effective charges, dielectric constants, Grüneisen parameters occur only in their in‐plane behaviour, confirming MVB is confined strictly to 2D and originates from p‐p orbital interactions. Our work opens up directions for chemical design of MVB based 2D materials and their heterostructures.

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The Synthesis and Crystal Structure of Hg₃TeI₄

Cited by 7 publications

References 20 publications

Defect Antiperovskite Compounds Hg₃Q₂I₂ (Q = S, Se, and Te) for Room-Temperature Hard Radiation Detection

Defect Antiperovskite Compounds Hg₃Q₂I₂ (Q = S, Se, and Te) for Room-Temperature Hard Radiation Detection

Metavalent Bonding in 2D Chalcogenides: Structural Origin and Chemical Mechanisms

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The Synthesis and Crystal Structure of Hg3TeI4

Cited by 7 publications

References 20 publications

Defect Antiperovskite Compounds Hg3Q2I2 (Q = S, Se, and Te) for Room-Temperature Hard Radiation Detection

Defect Antiperovskite Compounds Hg3Q2I2 (Q = S, Se, and Te) for Room-Temperature Hard Radiation Detection

Metavalent Bonding in 2D Chalcogenides: Structural Origin and Chemical Mechanisms

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The Synthesis and Crystal Structure of Hg₃TeI₄

Defect Antiperovskite Compounds Hg₃Q₂I₂ (Q = S, Se, and Te) for Room-Temperature Hard Radiation Detection

Defect Antiperovskite Compounds Hg₃Q₂I₂ (Q = S, Se, and Te) for Room-Temperature Hard Radiation Detection