Structural phase transitions in malononitrile, CH2(CN)2: crystal structure of the δ phase by neutron powder diffraction, and ab initio calculations of the structures and phonons of the α and δ phases

Lei Tan; Keith Refson; Martin T. Dove

doi:10.1088/1361-648X/ab11a1

Structural phase transitions in malononitrile, CH₂(CN)₂: crystal structure of the δ phase by neutron powder diffraction, and ab initio calculations of the structures and phonons of the α and δ phases

Lei Tan
, Keith Refson
, Martin T. Dove

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

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Original language	English
Article number	255401
Pages (from-to)	1-10
Number of pages	10
Journal	Journal of physics. Condensed matter : an Institute of Physics journal
Volume	31
Issue number	25
Early online date	20 Mar 2019
DOIs	https://doi.org/10.1088/1361-648X/ab11a1
Publication status	Published - 8 Apr 2019

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10.1088/1361-648X/ab11a1

Accepted ManuscriptAccepted author manuscript, 2.92 MBLicence: CC BY-NC-ND

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Tan, L., Refson, K., & Dove, M. T. (2019). Structural phase transitions in malononitrile, CH₂(CN)₂: crystal structure of the δ phase by neutron powder diffraction, and ab initio calculations of the structures and phonons of the α and δ phases. Journal of physics. Condensed matter : an Institute of Physics journal, 31(25), 1-10. Article 255401. https://doi.org/10.1088/1361-648X/ab11a1

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title = "Structural phase transitions in malononitrile, CH2(CN)2: crystal structure of the δ phase by neutron powder diffraction, and ab initio calculations of the structures and phonons of the α and δ phases",

author = "Lei Tan and Keith Refson and Dove, \{Martin T.\}",

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Tan, L, Refson, K & Dove, MT 2019, 'Structural phase transitions in malononitrile, CH₂(CN)₂: crystal structure of the δ phase by neutron powder diffraction, and ab initio calculations of the structures and phonons of the α and δ phases', Journal of physics. Condensed matter : an Institute of Physics journal, vol. 31, no. 25, 255401, pp. 1-10. https://doi.org/10.1088/1361-648X/ab11a1

Structural phase transitions in malononitrile, CH₂(CN)₂: crystal structure of the δ phase by neutron powder diffraction, and ab initio calculations of the structures and phonons of the α and δ phases. / Tan, Lei; Refson, Keith; Dove, Martin T.
In: Journal of physics. Condensed matter : an Institute of Physics journal, Vol. 31, No. 25, 255401, 08.04.2019, p. 1-10.

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

TY - JOUR

T1 - Structural phase transitions in malononitrile, CH2(CN)2

T2 - crystal structure of the δ phase by neutron powder diffraction, and ab initio calculations of the structures and phonons of the α and δ phases

AU - Tan, Lei

AU - Refson, Keith

AU - Dove, Martin T.

PY - 2019/4/8

Y1 - 2019/4/8

UR - https://www.scopus.com/pages/publications/85065220104

U2 - 10.1088/1361-648X/ab11a1

DO - 10.1088/1361-648X/ab11a1

M3 - Article

C2 - 30893648

AN - SCOPUS:85065220104

SN - 0953-8984

VL - 31

SP - 1

EP - 10

JO - Journal of physics. Condensed matter : an Institute of Physics journal

JF - Journal of physics. Condensed matter : an Institute of Physics journal

IS - 25

M1 - 255401

ER -

Tan L, Refson K, Dove MT. Structural phase transitions in malononitrile, CH₂(CN)₂: crystal structure of the δ phase by neutron powder diffraction, and ab initio calculations of the structures and phonons of the α and δ phases. Journal of physics. Condensed matter : an Institute of Physics journal. 2019 Apr 8;31(25):1-10. 255401. Epub 2019 Mar 20. doi: 10.1088/1361-648X/ab11a1

Structural phase transitions in malononitrile, CH2(CN)2: crystal structure of the δ phase by neutron powder diffraction, and ab initio calculations of the structures and phonons of the α and δ phases

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Structural phase transitions in malononitrile, CH₂(CN)₂: crystal structure of the δ phase by neutron powder diffraction, and ab initio calculations of the structures and phonons of the α and δ phases