High pressure synthesis, crystal growth and magnetic properties of TiOF

J. Cumby; M.b. Burchell; John Attfield

doi:10.1016/j.solidstatesciences.2018.03.018

High pressure synthesis, crystal growth and magnetic properties of TiOF

Research output: Contribution to journal › Article › peer-review

Abstract

Polycrystalline samples of TiOF have been prepared at 1300 °C and 8 GPa, with small single crystals grown at the same conditions. The crystal structure remains tetragonal rutile-type down to at least 90 K (space group P42/mnm, a = 4.6533(2) Å and c = 3.0143(2) Å at 90 K) and the Ti(O,F)6 octahedra are slightly compressed, consistent with Jahn-Teller distortion of 3d1 Ti3+. Diffuse scattering reveals disordered structural correlations that may arise from local cis-order of oxide anions driven by covalency. TiOF is paramagnetic down to 5 K and observation of a small paramagnetic moment and a substantial Pauli term indicates that the d-electrons are partially delocalised.

Original language	English
Pages (from-to)	35-38
Journal	Solid state sciences
Volume	80
Early online date	29 Mar 2018
DOIs	https://doi.org/10.1016/j.solidstatesciences.2018.03.018
Publication status	E-pub ahead of print - 29 Mar 2018

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10.1016/j.solidstatesciences.2018.03.018

20180425 Attfield TiOF_SSS-subAccepted author manuscript, 972 KBLicence: CC BY-NC-ND

http://linkinghub.elsevier.com/retrieve/pii/S1293255818302966

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title = "High pressure synthesis, crystal growth and magnetic properties of TiOF",

abstract = "Polycrystalline samples of TiOF have been prepared at 1300 °C and 8 GPa, with small single crystals grown at the same conditions. The crystal structure remains tetragonal rutile-type down to at least 90 K (space group P42/mnm, a = 4.6533(2) {\AA} and c = 3.0143(2) {\AA} at 90 K) and the Ti(O,F)6 octahedra are slightly compressed, consistent with Jahn-Teller distortion of 3d1 Ti3+. Diffuse scattering reveals disordered structural correlations that may arise from local cis-order of oxide anions driven by covalency. TiOF is paramagnetic down to 5 K and observation of a small paramagnetic moment and a substantial Pauli term indicates that the d-electrons are partially delocalised.",

author = "J. Cumby and M.b. Burchell and John Attfield",

year = "2018",

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day = "29",

doi = "10.1016/j.solidstatesciences.2018.03.018",

language = "English",

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journal = "Solid state sciences",

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T1 - High pressure synthesis, crystal growth and magnetic properties of TiOF

AU - Cumby, J.

AU - Burchell, M.b.

AU - Attfield, John

PY - 2018/3/29

Y1 - 2018/3/29

N2 - Polycrystalline samples of TiOF have been prepared at 1300 °C and 8 GPa, with small single crystals grown at the same conditions. The crystal structure remains tetragonal rutile-type down to at least 90 K (space group P42/mnm, a = 4.6533(2) Å and c = 3.0143(2) Å at 90 K) and the Ti(O,F)6 octahedra are slightly compressed, consistent with Jahn-Teller distortion of 3d1 Ti3+. Diffuse scattering reveals disordered structural correlations that may arise from local cis-order of oxide anions driven by covalency. TiOF is paramagnetic down to 5 K and observation of a small paramagnetic moment and a substantial Pauli term indicates that the d-electrons are partially delocalised.

AB - Polycrystalline samples of TiOF have been prepared at 1300 °C and 8 GPa, with small single crystals grown at the same conditions. The crystal structure remains tetragonal rutile-type down to at least 90 K (space group P42/mnm, a = 4.6533(2) Å and c = 3.0143(2) Å at 90 K) and the Ti(O,F)6 octahedra are slightly compressed, consistent with Jahn-Teller distortion of 3d1 Ti3+. Diffuse scattering reveals disordered structural correlations that may arise from local cis-order of oxide anions driven by covalency. TiOF is paramagnetic down to 5 K and observation of a small paramagnetic moment and a substantial Pauli term indicates that the d-electrons are partially delocalised.

U2 - 10.1016/j.solidstatesciences.2018.03.018

DO - 10.1016/j.solidstatesciences.2018.03.018

M3 - Article

VL - 80

SP - 35

EP - 38

JO - Solid state sciences

JF - Solid state sciences

SN - 1293-2558

ER -

High pressure synthesis, crystal growth and magnetic properties of TiOF

Abstract

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