High-temperature phase transition in TlN3

Jianjun Liu; Chun Gang Duan; M. M. Ossowski; W. N. Mei; R. W. Smith; J. R. Hardy

doi:10.1016/S0025-5408(01)00680-8

High-temperature phase transition in TlN₃

Jianjun Liu, Chun Gang Duan, M. M. Ossowski, W. N. Mei, R. W. Smith, J. R. Hardy

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

2 Scopus citations

Abstract

The phase transition in TlN₃ is simulated based on the potentials calculated from the Gordon-Kim modified electron gas model extended to ion molecular crystals. It is found that TlN₃ transforms into a cubic CsCl structure at high temperature due to the rotations of the N₃ ions. Above the phase transition the orientations of the N₃^- ions are random with four preferred orientations with respect to the cubic axes.

Original language	English
Pages (from-to)	2035-2041
Number of pages	7
Journal	Materials Research Bulletin
Volume	36
Issue number	11
DOIs	https://doi.org/10.1016/S0025-5408(01)00680-8
State	Published - 15 Sep 2001
Externally published	Yes

Keywords

D. phase transitions

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10.1016/S0025-5408(01)00680-8

Cite this

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title = "High-temperature phase transition in TlN3",

abstract = "The phase transition in TlN3 is simulated based on the potentials calculated from the Gordon-Kim modified electron gas model extended to ion molecular crystals. It is found that TlN3 transforms into a cubic CsCl structure at high temperature due to the rotations of the N3 ions. Above the phase transition the orientations of the N3- ions are random with four preferred orientations with respect to the cubic axes.",

keywords = "D. phase transitions",

author = "Jianjun Liu and Duan, \{Chun Gang\} and Ossowski, \{M. M.\} and Mei, \{W. N.\} and Smith, \{R. W.\} and Hardy, \{J. R.\}",

year = "2001",

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doi = "10.1016/S0025-5408(01)00680-8",

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AU - Liu, Jianjun

AU - Duan, Chun Gang

AU - Ossowski, M. M.

AU - Mei, W. N.

AU - Smith, R. W.

AU - Hardy, J. R.

PY - 2001/9/15

Y1 - 2001/9/15

N2 - The phase transition in TlN3 is simulated based on the potentials calculated from the Gordon-Kim modified electron gas model extended to ion molecular crystals. It is found that TlN3 transforms into a cubic CsCl structure at high temperature due to the rotations of the N3 ions. Above the phase transition the orientations of the N3- ions are random with four preferred orientations with respect to the cubic axes.

AB - The phase transition in TlN3 is simulated based on the potentials calculated from the Gordon-Kim modified electron gas model extended to ion molecular crystals. It is found that TlN3 transforms into a cubic CsCl structure at high temperature due to the rotations of the N3 ions. Above the phase transition the orientations of the N3- ions are random with four preferred orientations with respect to the cubic axes.

KW - D. phase transitions

UR - https://www.scopus.com/pages/publications/0035885435

U2 - 10.1016/S0025-5408(01)00680-8

DO - 10.1016/S0025-5408(01)00680-8

M3 - 文章

AN - SCOPUS:0035885435

SN - 0025-5408

VL - 36

SP - 2035

EP - 2041

JO - Materials Research Bulletin

JF - Materials Research Bulletin

IS - 11

ER -

High-temperature phase transition in TlN₃

Abstract

Keywords

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