Transitions between NiAs and MnP type phases:  an electronically driven distortion of triangular (36) nets

Tremel, Wolfgang; Hoffmann, Roald; Silvestre, Jérôme

doi:10.1021/ja00277a023

Cited by 75 publications

(60 citation statements)

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“…The similarity of Ce-Sb distances in CeNiSb 3 to those in CeCrSb 3 argues for Ce 3+ , and it is reasonable to assume that the Ce atoms participate, to a first approximation, in ionic interactions with the other atoms in the structure. The Ni2-Ni2 distance of 2.7214(12) Å is slightly longer than the analogous distance of B2.560 Å found in NiSb [16,17], where metal-metal bonding has long been known to be important in stabilizing its structure [21]. Magnetic measurements might also clarify the oxidation state of the Ni atoms, but the assumption of localized moments is highly suspect given the observation of itinerant electron ferromagnetism in the related series of compounds RECrSb 3 [6].…”

Section: Bondingmentioning

confidence: 77%

“…An emerging feature in the structural chemistry of antimonides is the role of Sb-Sb bonds of variable strength in the formation of diverse anionic substructures such as discrete pairs (e.g., in Yb 5 In 2 Sb 6 ) [7], onedimensional chains and ribbons (e.g., in La 13 Ga 8 Sb 21 and Pr 12 Ga 4 Sb 23 ) [8,9], and most pertinent to the present work, square nets (e.g., in LaSn 0.7 Sb 2 ) [10]. These square nets appear frequently not only in antimonides, but also in other heavier pnictides, chalcogenides, and tetrelides.…”

Section: Introductionmentioning

confidence: 99%

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Structure and electrical resistivity of CeNiSb3

Macaluso

Wells

Sykora

et al. 2004

Journal of Solid State Chemistry

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Section: Bondingmentioning

confidence: 77%

Section: Introductionmentioning

confidence: 99%

Structure and electrical resistivity of CeNiSb3

Macaluso

Wells

Sykora

et al. 2004

Journal of Solid State Chemistry

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“…Recently, the magnetic-field-induced shape memory effect based on the magnetostructural coupling has also been found in another type of materials 28 , the hexagonal ternary compounds with the Ni 2 In structure [29][30][31] . With the FMMTs in these materials, large magnetocaloric effects are also associated [32][33][34][35][36] .…”

mentioning

confidence: 99%

Stable magnetostructural coupling with tunable magnetoresponsive effects in hexagonal ferromagnets

et al. 2012

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The magnetostructural coupling between the structural and the magnetic transition has a crucial role in magnetoresponsive effects in a martensitic-transition system. A combination of various magnetoresponsive effects based on this coupling may facilitate the multifunctional applications of a host material. Here we demonstrate the feasibility of obtaining a stable magnetostructural coupling over a broad temperature window from 350 to 70 K, in combination with tunable magnetoresponsive effects, in mnniGe:Fe alloys. The alloy exhibits a magneticfield-induced martensitic transition from paramagnetic austenite to ferromagnetic martensite. The results indicate that stable magnetostructural coupling is accessible in hexagonal phasetransition systems to attain the magnetoresponsive effects with broad tunability.

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“…Thus, it is clear that FeS adopts a variety of crystallographic structures under different sample preparations [15,16] or × P T conditions [2]. Interestingly, iron monosulfides, such as troilite [14,17,18] and mackinawite [16,[19][20][21][22], show a variety of structural, magnetic and transport properties which are not fully understood yet. At ambient pressure (AP), troilite is an antiferromagnetic insulator with a Néel transition temperature of 589 K [18].…”

Section: Introductionmentioning

confidence: 99%

Electronic reconstruction of hexagonal FeS: a view from density functional dynamical mean-field theory

Craco

Faria

Leoni

2017

Mater. Res. Express

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IntroductionStoichiometric FeS is known to be a natural occurring mineral and has been investigated in fields as diverse as space science [1][2][3], geosciences [4], crystal chemistry [5] and condensed matter physics [6-9], because it is a possible core material for the terrestrial planets and one of the fundamental components of meteorites. Hence, similar to the classical Mott-Hubbard insulator FeO [10,11], FeS is considered to be an important material for solid state and earth sciences. Apart from this, hexagonal iron monosulfide has also been investigated in field as diverse as applied surface sciences [12] or as potential material for future energy storage and lithium-ion battery applications [13].As revealed by high-pressure x-ray diffraction measurements [1,3,5,14], FeS undergoes a series of structural phase transitions with increasing pressure (P): a detailed description of the × P T structural phase transformations of FeS can be found, for example, in [2] and [5]. From these studies it is known that under ambient conditions troilite FeS has a hexagonal structure (space group P − 62c) which is derivative of the NiAs unit cell with axis lengths = =å c 3 5.955 A f and =c 2 11.76 A f [14], where c f is the lattice parameter of the fundamental NiAs subcell. The corresponding crystal structure of troilite FeS is shown in figure 1, see also [14]. As seen in this figure, increasing pressure at room temperature results in a structural phase transition close to 3.5 GPa to an hexagonal NiAs-type structure (here dubbed as h-FeS) [2] with space group P mmc 63 /. With further increasing P at temperatures close to room-T results in an additional structural transformation at around 7 GPa to a monoclinic unit cell (space group P2 1 or P2 1 /m) [14]. It is worth noting as well that the change of the sulfur sublattice might transform the layered structure of tetragonal FeS (mackinawite) to the three-dimensional NiAs-type structure of hexagonal pyrrhotite [15]. Thus, it is clear that FeS adopts a variety of crystallographic structures under different sample preparations [15,16] AbstractWe present a detailed study of correlation-and pressure-induced electronic reconstruction in hexagonal iron monosulfide, a system which is widely found in meteorites and one of the components of Earth's core. Based on a perusal of experimental data, we stress the importance of multi-orbital electron-electron interactions in concert with first-principles band structure calculations for a consistent understanding of its intrinsic Mott-Hubbard insulating state. We explain the anomalous nature of pressure-induced insulator-metal-insulator transition seen in experiment, showing that it is driven by dynamical spectral weight transfer in response to changes in the crystal-field splittings under pressure. As a byproduct of this analysis, we confirm that the electronic transitions observed in pristine FeS at moderated pressures are triggered by changes in the spin state which causes orbitalselective Kondo quasiparticle electronic reconstruction at lo...

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Transitions between NiAs and MnP type phases: an electronically driven distortion of triangular (36) nets

Cited by 75 publications

References 0 publications

Structure and electrical resistivity of CeNiSb3

Structure and electrical resistivity of CeNiSb3

Stable magnetostructural coupling with tunable magnetoresponsive effects in hexagonal ferromagnets

Electronic reconstruction of hexagonal FeS: a view from density functional dynamical mean-field theory

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