Compounds with the Marcasite Type Crystal Structure. VI. Neutron Diffraction Studies of CrSb2 and FeSb2.

Holseth, Hans; Kjekshus, Arne; Andresen, Arne F.; Schäfer, Lothar; Shimizu, Akira

doi:10.3891/acta.chem.scand.24-3309

Cited by 66 publications

(72 citation statements)

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“…In fact, the observed polymorphism for the 33 was thoroughly studied by Kjekshus 25,[28][29][30]34 and the application of high pressure was shown to lead to a pararammelsbergite type instead of a pyrite type structure. 35 NiP 2 crystallizes in a KO 2 type structure 36,37 at ambient conditions and a high temperature and high pressure form of NiP 2 32 exists in the pyrite type.…”

Section: Introductionmentioning

confidence: 99%

Phase stabilities at a glance: Stability diagrams of nickel dipnictides

Bachhuber

Rothballer

Sohnel

et al. 2013

The Journal of Chemical Physics

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In the course of the recent advances in chemical structure prediction, a straightforward type of diagram to evaluate phase stabilities is presented based on an expedient example. Crystal structures and energetic stabilities of dipnictides NiPn2 (Pn = N, P, As, Sb, Bi) are systematically investigated by first principles calculations within the framework of density functional theory using the generalized gradient approximation to treat exchange and correlation. These dipnictides show remarkable polymorphism that is not yet understood systematically and offers room for the discovery of new phases. Relationships between the concerned structures including the marcasite, the pyrite, the arsenopyrite/CoSb2, and the NiAs2 types are highlighted by means of common structural fragments. Electronic stabilities of experimentally known and related AB2 structure types are presented graphically in so-called stability diagrams. Additionally, competing binary phases are taken into consideration in the diagrams to evaluate the stabilities of the title compounds with respect to decomposition. The main purpose of the stability diagrams is the introduction of an image that enables the estimation of phase stabilities at a single glance. Beyond that, some of the energetically favored structure types can be identified as potential new phases.

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Section: Introductionmentioning

confidence: 99%

Phase stabilities at a glance: Stability diagrams of nickel dipnictides

Bachhuber

Rothballer

Sohnel

et al. 2013

The Journal of Chemical Physics

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“…In contrast χ(T ) of RuSb 2 is almost T independent and diamagnetic due to the predominant inner-core contribution. No cooperative magnetism has been observed in FeSb 2 in various measurements including magnetic-susceptibility [6,17,18], neutron-diffraction [30], and 57 Fe-Mössbauer [31] measurements. A nonmagnetic ground state of FeSb 2 has been commonly assumed within a simple ionic picture proposed by Goodenough [32], where the iron has a low-spin 3d 4 configuration because it is located within a slightly distorted octahedron, and therefore the t 2g state splits into two degenerate d yz and d xz orbitals (ground state, fully filled) and one higher lying d xy orbital.…”

Section: Introductionmentioning

confidence: 99%

Strong electron correlations in FeSb₂

et al. 2011

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FeSb2 has been recently identified as a new model system for studying many‐body renormalizations in a d‐electron based narrow gap semiconducting system, strongly resembling FeSi. The electron‐electron correlations in FeSb2 manifest themselves in a wide variety of physical properties including electrical and thermal transport, optical conductivity, magnetic susceptibility, specific heat and so on. We review some of the properties that form a set of experimental evidences revealing a significant role of correlation effects in FeSb2. The metallic state derived from slight Te doping in FeSb2, which exhibits a large quasiparticle mass, will also be introduced.

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“…FeSb 2 is a well-studied compound [1,2,3,4], but recent works has stimulated renewed interest [5][6][7][8][9][10][11][12]. Different studies of FeSb 2 have characterized the material as a strongly…”

Section: Introductionmentioning

confidence: 99%