Pressure dependence of the crystal field spectrum of the NH4MnCl3 perovskite: correlation between 10Dq, Ne and Nt, and the Mn–Cl distance in MnCl4−6 complexes

Hernández, D.; Rodrı́guez, F.; Moreno, M.; Güdel, Hans U.

doi:10.1016/s0921-4526(98)01369-6

Cited by 71 publications

(33 citation statements)

References 14 publications

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“…From the relation Dq ∝ R 0 −n (where n ≈ 5 ± 1.5 [33,34]) and the distances R 0 in Table 1 Table 1. The ratio 2 0 4 0 ( )/ ( ) A R A R is in the range of 8-12 obtained by studying the optical and EPR spectra for 3d n clusters in crystals [29,30,[35][36][37].…”

mentioning

confidence: 99%

Studies of the tetragonal distortion due to Jahn–Teller effect for the Cu²⁺ centres in trigonal ZnMF₆·6H₂O (M = Si, Ti, Zr) crystals from the calculations of spin‐Hamiltonian parameters

Yang

Liu

et al. 2009

Physica Status Solidi (b)

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mentioning

confidence: 99%

Studies of the tetragonal distortion due to Jahn–Teller effect for the Cu²⁺ centres in trigonal ZnMF₆·6H₂O (M = Si, Ti, Zr) crystals from the calculations of spin‐Hamiltonian parameters

Yang

Liu

et al. 2009

Physica Status Solidi (b)

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“…Figure 1 compares the OA spectra of NH 4 MnCl 3 at ambient conditions obtained from single crystals of 0.5 mm thickness and microcrystals. The spectrum in (a) was taken with a conventional spectrophotometer and is very similar to ones reported previously [36][37][38] [36][37][38] according to the perovskite structure of the NH 4 MnCl 3 crystal [27]. Interestingly, the use of NH 4 MnCl 3 microcrystals (figure 1(b)) enables us to explore the exchange-induced double-excitation bands.…”

Section: Methodsmentioning

confidence: 59%

“…The optical properties of NH 4 MnCl 3 have been studied previously by OA [36][37][38] and Raman spectroscopy [39]. The OA spectrum is associated with CF transitions of the Mn 2+ whose energies are well explained within the MnCl 4− 6 complex.…”

Section: Introductionmentioning

confidence: 99%

Intrinsic and extrinsic photoluminescence in the NH₄MnCl₃cubic perovskite: a spectroscopic study

Hernández¹,

Rodrı́guez

2003

J. Phys.: Condens. Matter

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This work investigates the photoluminescence (PL) properties of the cubic chloroperovskite NH 4 MnCl 3 . Like in most concentrated materials, the Mn 2+ PL which is located at 2.10 eV at T = 10 K strongly depends on the temperature. Optical absorption (OA), emission, and excitation spectroscopy, as well as lifetime measurements, performed on NH 4 MnCl 3 indicate that the PL is mainly intrinsic at T = 10 K and consists of a broad band located at 2.10 eV. Above this temperature, the PL gradually transforms to extrinsic PL due to exciton migration and subsequent trapping. Further temperature increase above 100 K yields transfer to killers of excitation which are responsible for the PL quenching, and hence the absence of PL at ambient conditions. The exciton traps are identified with perturbed Mn 2+ sites with the effective activation energy of 52 meV, whilst the activation energy for energy transfer is 47 meV. The existence of these traps has been directly revealed by time-resolved spectroscopy. The detected intrinsic and extrinsic PL bands are displaced by 6 meV, which coincides with the activation energy difference between pure Mn 2+ and trap Mn 2+ , as derived from temperature dependence studies of the lifetime τ (T ). Interestingly, a PL band at 1.82 eV is observed above 60 K. This band, which was initially associated with deeper excitation traps, actually corresponds to precipitates of MnCl 2 inside NH 4 MnCl 3 . The correlation analysis performed on NH 4 MnCl 3 using OA, PL, and lifetime data provides an estimate of the precipitate concentration of 0.3 mol %. The presence of two separated Mn 2+ PL bands at different temperatures is a rather common phenomenon in concentrated materials such as AMnX 3 (A = NH 4 , Rb; X = Cl, F), and has been interpreted in terms of exciton transfer to deeper traps. The present finding stresses the relevance of an adequate structural characterization in dealing with PL in concentrated materials.

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“…This in turn suggests that in the pressure range of interest in this work h − FeS could be in a linear regime as observed in other materials under external pressure conditions [50]. Thus, to show how changes in the correlated electronic structure and dc transport responses of pressurized h-FeS might be explained by a modification of ∆ is our focus below.…”

Section: Electronic Reconstruction Of Pressurized Fesmentioning

confidence: 67%

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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Pressure dependence of the crystal field spectrum of the NH4MnCl3 perovskite: correlation between 10Dq, Ne and Nt, and the Mn–Cl distance in MnCl4−6 complexes

Cited by 71 publications

References 14 publications

Studies of the tetragonal distortion due to Jahn–Teller effect for the Cu²⁺ centres in trigonal ZnMF₆·6H₂O (M = Si, Ti, Zr) crystals from the calculations of spin‐Hamiltonian parameters

Studies of the tetragonal distortion due to Jahn–Teller effect for the Cu²⁺ centres in trigonal ZnMF₆·6H₂O (M = Si, Ti, Zr) crystals from the calculations of spin‐Hamiltonian parameters

Intrinsic and extrinsic photoluminescence in the NH₄MnCl₃cubic perovskite: a spectroscopic study

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

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Pressure dependence of the crystal field spectrum of the NH4MnCl3 perovskite: correlation between 10Dq, Ne and Nt, and the Mn–Cl distance in MnCl4−6 complexes

Cited by 71 publications

References 14 publications

Studies of the tetragonal distortion due to Jahn–Teller effect for the Cu2+ centres in trigonal ZnMF6·6H2O (M = Si, Ti, Zr) crystals from the calculations of spin‐Hamiltonian parameters

Studies of the tetragonal distortion due to Jahn–Teller effect for the Cu2+ centres in trigonal ZnMF6·6H2O (M = Si, Ti, Zr) crystals from the calculations of spin‐Hamiltonian parameters

Intrinsic and extrinsic photoluminescence in the NH4MnCl3cubic perovskite: a spectroscopic study

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

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Studies of the tetragonal distortion due to Jahn–Teller effect for the Cu²⁺ centres in trigonal ZnMF₆·6H₂O (M = Si, Ti, Zr) crystals from the calculations of spin‐Hamiltonian parameters

Studies of the tetragonal distortion due to Jahn–Teller effect for the Cu²⁺ centres in trigonal ZnMF₆·6H₂O (M = Si, Ti, Zr) crystals from the calculations of spin‐Hamiltonian parameters

Intrinsic and extrinsic photoluminescence in the NH₄MnCl₃cubic perovskite: a spectroscopic study