New Ternary Lanthanide Transition-Metal Tellurides: Dy6MTe2, M=Fe, Co, Ni

Bestaoui, N.; Herle, P. Subramanya; Corbett, John D.

doi:10.1006/jssc.2000.8880

Cited by 32 publications

(29 citation statements)

References 23 publications

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“…To date, the identifications of previously unknown materials showing metal-to-superconductor transitions require the use of many synthetic attempts, because the physical properties of materials with different stoichiometry and crystal structures may vary widely for a given system. For instance, the binary and ternary compounds of the R–T–Te systems (R = rare-earth; T = Fe–Cu; Figure ) differ widely in their temperature-dependent electrical conductivity behaviors and exhibit phase transitions due to the formations of superconducting states or charge density waves. − To accelerate the discoveries of unknown materials with the desired properties, the quantum chemical high-throughput screenings of compound libraries based on appropriate descriptors and intelligent data mapping have emerged as powerful techniques . For example, the uses of high-throughput screenings of databases by means of quantum chemical methods resulted in the accelerated detections of 18-electron ABX compounds, the forecast of 28 topological insulators, a map for phase-change materials, and the prediction of the performances of diverse materials for thermoelectric energy conversion. − …”

Section: Introductionmentioning

confidence: 99%

Fermi-Level Characteristics of Potential Chalcogenide Superconductors

Fries

Steinberg

2018

Chem. Mater.

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Quantum chemical high-throughput screenings of compound libraries for the identifications of materials with the desired properties have emerged as beneficial tools to accelerate the discoveries of compounds of interest. The quantum chemical high-throughput screenings of compound libraries require the definitions of reliable descriptors enabling relationships between the observed physical properties and the computed electronic structures. The desire to enhance the discoveries of materials showing electronic instabilities which are related to possible metalto-superconductor transitions stimulated our impetus to probe the feasibility of a descriptor for the identifications of materials with the aforementioned electronic instabilities in the forms of flat bands crossing the Fermi levels. To evaluate the reliability of the projected descriptor based on the f lat band/steep band scenario for superconductors, we inspected the characteristics of the electronic band structures near the Fermi levels for a series of chalcogenide superconductors, whose electronic structures were computed and analyzed by means of first-principles-based highthroughput techniques. Article pubs.acs.org/cm

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Section: Introductionmentioning

confidence: 99%

Fermi-Level Characteristics of Potential Chalcogenide Superconductors

Fries

Steinberg

2018

Chem. Mater.

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“…These are the relatively large collection that are isotypic with ordered hexagonal Fe 2 P (better, Fe 6 P 3 or Zr 6 CoAl 2 ) structure, which here include Sc 6 TnTe 2 , Tn = Mn-Ni, Ru, Os, Rh, Ir; R 6 TnTe 2 , R = Y, La, Gd, Dy, Tn = Co, Ni mainly, Er 6 RuTe 2 , and some unusual variants: Sc 6 Te 0.80 Bi 1.68 , Lu 6 MoSb 2 , and even Lu 8 Te (Lu 6 TeLu 2 ) [118][119][120][121]. Charge and size distributions are diverse within some of these.…”

Section: Other Telluridesmentioning

confidence: 98%

Exploratory synthesis of reduced rare-earth-metal halides, chalcogenides, intermetallics

Corbett

2006

Journal of Alloys and Compounds

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“…b Tentative from atomic radii rule from data of Refs. [3,11,21]. c Tentative from de Gennes rule from data of Ref.…”

Section: Crystal Structurementioning

confidence: 99%

“…The cea diagram for Ho-containing (a) and Zr-containing (b) Fe 2 P-type compounds with different transition metals and p-elements. The a and c parameters for the hypothetical Ho 6 NiTe 2 were extracted from the extrapolation of the linear fits data of Gd 6 NiTe 2 [11], Tb 6 NiTe 2 [21] and Dy 6 NiTe 2 [3]. [26]).…”

Section: Compoundmentioning

confidence: 99%