Order–Disorder Structural Phase Transitions in Alkali Perchlorates

Li, Jianjun; Duan, Chun‐Gang; Mei, W.; Smith, Robert W.; Hardy, J. R.

doi:10.1006/jssc.2001.9411

Cited by 14 publications

(9 citation statements)

References 21 publications

(14 reference statements)

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“…It has been reported that LiClO 4 (Henderson & Brooks, 2003), KClO 4 , RbClO 4 and CsClO 4 (Bats & Fuess, 1982;Granzin, 1988) crystallize in the same orthorhombic space group Pnma at room temperature, while interestingly NaClO 4 has Cmcm (Liu, et al, 2002;Wartchow & Berthold, 1978) or Bbmm orthorhombic symmetry (Zachariasen, 1930) and F43m cubic symmetry (Herrmann & Ilge, 1930). It has a cubic NaCl structure with space group Fm3m at high temperature (Berthold et al, 1979 andBerthold, et al, 1983).…”

Section: Commentmentioning

confidence: 99%

Sodium perchlorate in the space group Pnma

Zhang

et al. 2006

Acta Cryst E

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Section: Commentmentioning

confidence: 99%

Sodium perchlorate in the space group Pnma

Zhang

et al. 2006

Acta Cryst E

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“…Since there is no unique way to separate the charge density of a highly covalently bonded molecule, Lu and Hardy suggested equal separation in a spirit similar to the Mulliken population analysis ͑MPA͒. By using this atomiclevel method, we could successfully describe the phase transitions in fluoroperovskites 13 and ionic crystals with polyatomic molecules including SeO 4 2Ϫ , 14 ClO 4 Ϫ , 15 SO 4 2Ϫ , 16…”

Section: ϫmentioning

confidence: 99%

Molecular dynamics simulation of the order-disorder phase transition in solidNaNO2

et al. 2003

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We present molecular dynamics simulations of solid NaNO 2 using pair potentials with the rigid-ion model. The crystal potential surface is calculated by using an a priori method which integrates the ab initio calculations with the Gordon-Kim electron gas theory. This approach is carefully examined by using different population analysis methods and comparing the intermolecular interactions resulting from this approach with those from the ab initio Hartree-Fock calculations. Our numerics show that the ferroelectric-paraelectric phase transition in solid NaNO 2 is triggered by rotation of the nitrite ions around the crystallographical c axis, in agreement with recent x-ray experiments ͓Gohda et al., Phys. Rev. B 63, 14101 ͑2000͔͒. The crystal-field effects on the nitrite ion are also addressed. An internal charge-transfer effect is found.

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“…Исследованиям фазовых переходов в кристаллах в последние годы уделяется большое внимание [1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16]. Многие из них являются переходами первого рода.…”

Section: Introductionunclassified

Предпереходные Явления В Области Фазовых Переходов Первого Рода В Ионно-Молекулярных Кристаллах

Алиев¹,

Ахмедов²,

Какагасанов³

et al. 2020

Физика Твердого Тела

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Raman spectroscopy was used to study the molecular relaxation processes in sulfates Li2SO4, Na2SO4, K2SO4, carbonates Li2CO3, Na2CO3, K2CO3, perchlorates NaClO4, KClO4 and nitrates Ca(NO3)2, Sr(NO3)2, Ba(NO3)2. It has been established that in the systems under study, phase transitions of the first kind are stretched in nature (diffuse phase transition): in sulfates, carbonates and perchlorates they are structural phase transitions, and in nitrates this is a crystal-melt phase transition. The existence of a pre-transition region was found in all the crystals studied.

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Order–Disorder Structural Phase Transitions in Alkali Perchlorates

Cited by 14 publications

References 21 publications

Sodium perchlorate in the space group Pnma

Sodium perchlorate in the space group Pnma

Molecular dynamics simulation of the order-disorder phase transition in solidNaNO2

Предпереходные Явления В Области Фазовых Переходов Первого Рода В Ионно-Молекулярных Кристаллах

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