Infrared lattice dynamics in negative thermal expansion material in single-crystal ScF<sub>3</sub>

Handunkanda, Sahan; Curry, Erin; Voronov, V. N.; Hancock, Jason

doi:10.1088/1361-648x/ab4955

Cited by 5 publications

(3 citation statements)

References 49 publications

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“…These strong lattice vibrations can be fit to a set of five Lorentz oscillators in this spectral range and are similar to those observed in single crystals of the related compound ScF 3 . [ 14 ] Kramers–Kronig consistency in guaranteed by the form of the Lorentz oscillator. Importantly, no free carrier contribution is used in the fitting procedure, consistent with a vanishingly small Drude weight expected for an insulating material.…”

Section: Experimental Evidence For Insulating Behaviormentioning

confidence: 99%

Correlation‐Driven Magnetic Frustration and Insulating Behavior of TiF₃

Fernando,

Sheets,

Hancock

et al. 2023

Physica Rapid Research Ltrs

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The halide perovskite TiF3, renowned for its intricate interplay between structure, electronic correlations, magnetism, and thermal expansion, is investigated. Despite its simple structure, understanding its low‐temperature magnetic behavior has been a challenge. Previous theories propose antiferromagnetic ordering. In contrast, experimental signatures for an ordered magnetic state are absent down to 10 K. The current study has successfully reevaluated the theoretical modeling of TiF3, unveiling the significance of strong electronic correlations as the key driver for its insulating behavior and magnetic frustration. In addition, frequency‐dependent optical reflectivity measurements exhibit clear signs of an insulating state. The analysis of the calculated magnetic data gives an antiferromagnetic exchange coupling with a net Weiss temperature of order 25 K as well as a magnetic response consistent with a S = 1/2 local moment per Ti3+. Yet, the system shows no susceptibility peak at this temperature scale and appears free of long‐range antiferromagnetic order down to 1 K. Extending ab initio modeling of the material to larger unit cells shows a tendency for relaxing into a noncollinear magnetic ordering, with a shallow energy landscape between several magnetic ground states, promoting the status of this simple, nearly cubic perovskite structured material as a candidate spin liquid.

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Section: Experimental Evidence For Insulating Behaviormentioning

confidence: 99%

Correlation‐Driven Magnetic Frustration and Insulating Behavior of TiF₃

Fernando,

Sheets,

Hancock

et al. 2023

Physica Rapid Research Ltrs

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“…Therefore, it greatly promotes the research on the characteristics of negative expansion materials, in addition to the development of the traditional negative expansion material, phase variant NTE materials also made significant progress, for example, ferroelectric and magnetic charge transfer and metal -insulator phase transition negative expansion material, these materials undergo phase transformation with volume shrinkage when heated [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16]. A large number of LaMnO 3 compounds have attracted extensive ferroelectric [17][18][19][20], temperature compensation [21][22][23][24] and other physical properties.…”

Section: Introductionmentioning

confidence: 99%

"The Negative Thermal Expansion Property of NdNnO3 Based on Pores Effect and Phase Transition"

Li¹

2022

BJSTR

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A novel negative thermal expansion (NTE) material NdMnO3 was synthesized by solid-state method at 1523 K. The crystal structure, phase transition and negative expansion properties of NdMnO3 were investigated by variable temperature X-ray diffraction (XRD), scanning electron microscope (SEM) and variable temperature Raman spectra. The experimental results show that the compound adopts the orderly O' phase crystal structure between room temperature and 1023 K, which transforms to the disordered O phase above 1023 K. NdMnO3 compound underwent a Jahn-Teller distortion from the orbitally ordered О' phase to the orbitally disordered O phase. The compound exhibits NTE properties in the orderly O' phase crystal structure. When the temperature is from 293 to 759 K, the ceramic NdMnO3 shows negative thermal expansion of -4.7×10-6 /K. As temperature increases, the ceramic NdMnO3 presents NTE property range from 759 to 1007 K. the average linear expansion coefficient is -18.88×10-6 /K. The physical mechanism of NTE is discussed and clarified through experiments.

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“…Transition metal trifluorides, a class of materials with the chemical formula MF 3 (M = Sc, Ti, V, Cr, Mn, and so forth) have attracted considerable attentions owing to their versatile applications in negative thermal expansion materials, [1][2][3][4] batteries, [5][6][7] and hydrogen storage materials. [8][9][10][11][12] More importantly, they have been demonstrated to be ideal materials to study the Jahn-Teller and spin-orbit coupling effects.…”

Section: Introductionmentioning

confidence: 99%

Pressure-induced phase transition in transition metal trifluorides

Liu¹,

Xu²,

Lv³

et al. 2022

Chinese Phys. B

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As a fundamental thermodynamic variable, pressure can alter bonding patterns and drive phase transitions, leading to the creation of new high-pressure phases with exotic properties that are inaccessible at ambient pressure. Using swarm-intelligence structural prediction method, a phase transition of TiF3, from R-3c to Pnma phase, is predicted at high pressure, accompanied by the destruction of TiF6 octahedra and formation of TiF8 square antiprismatic units. Particularly, through laser-heated diamond anvil cell technique, the predicted Pnma phase of TiF3 is confirmed by high-pressure X-ray diffraction experiment. Furthermore, the in-situ electrical measurement indicates that the newly found Pnma phase has a semiconducting character, which is also consistent with electronic band structure calculations. We further show that this pressure-induced phase transition is a general phenomenon in ScF3, VF3, CrF3 and MnF3, offering valuable insights on the high-pressure phases in transition metal trifluorides.

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Infrared lattice dynamics in negative thermal expansion material in single-crystal ScF₃

Cited by 5 publications

References 49 publications

Correlation‐Driven Magnetic Frustration and Insulating Behavior of TiF₃

Correlation‐Driven Magnetic Frustration and Insulating Behavior of TiF₃

"The Negative Thermal Expansion Property of NdNnO3 Based on Pores Effect and Phase Transition"

Pressure-induced phase transition in transition metal trifluorides

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Infrared lattice dynamics in negative thermal expansion material in single-crystal ScF3

Cited by 5 publications

References 49 publications

Correlation‐Driven Magnetic Frustration and Insulating Behavior of TiF3

Correlation‐Driven Magnetic Frustration and Insulating Behavior of TiF3

"The Negative Thermal Expansion Property of NdNnO3 Based on Pores Effect and Phase Transition"

Pressure-induced phase transition in transition metal trifluorides

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Product

Resources

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Infrared lattice dynamics in negative thermal expansion material in single-crystal ScF₃

Correlation‐Driven Magnetic Frustration and Insulating Behavior of TiF₃

Correlation‐Driven Magnetic Frustration and Insulating Behavior of TiF₃