Pressure-induced phase transition in zinc-blend CuI

Deoshree Baghmar; Purvee Bhardwaj; N. K. Gaur; Sadhana Singh; D. C. Gupta

doi:10.1063/1.2927568

Pressure-induced phase transition in zinc-blend CuI

Deoshree Baghmar, Purvee Bhardwaj, N. K. Gaur, Sadhana Singh, D. C. Gupta

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

Abstract

In the present investigation the Zinc-Blende (ZnS) -Tetragonal (Intermediate Phase) -Rock-Salt (NaCl) phase transition pressure of Copper Iodide (CuI) has been predicted using an interionic potential theory. The calculated compression curves and values of different high-pressure properties for CuI are reported and compared with the available experimental values. The calculated values for the phase-transition pressures (P_t) and the associated volume collapses | V(P_t)/V(0)| are generally in good agreement with their measured data.

Original language	English
Title of host publication	THERMOPHYSICAL PROPERTIES OF MATERIALS AND DEVICES - IVth National Conferenceon Thermophysical Properties - NCTP'07
Pages	278-282
Number of pages	5
DOIs	https://doi.org/10.1063/1.2927568
State	Published - 21 May 2008
Externally published	Yes
Event	4th National Conference on Thermophysical Properties, NCTP 2007 - Kollam, Kerala, India Duration: 20 Sep 2007 → 23 Sep 2007

Publication series

Name	AIP Conference Proceedings
Volume	1004
ISSN (Print)	0094-243X
ISSN (Electronic)	1551-7616

Conference

Conference	4th National Conference on Thermophysical Properties, NCTP 2007
Country/Territory	India
City	Kollam, Kerala
Period	20/09/07 → 23/09/07

Keywords

Gibbs free energy
High pressure
Structural phase transition
Volume collapse

ASJC Scopus subject areas

General Physics and Astronomy

Access to Document

10.1063/1.2927568

Cite this

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title = "Pressure-induced phase transition in zinc-blend CuI",

abstract = "In the present investigation the Zinc-Blende (ZnS) -Tetragonal (Intermediate Phase) -Rock-Salt (NaCl) phase transition pressure of Copper Iodide (CuI) has been predicted using an interionic potential theory. The calculated compression curves and values of different high-pressure properties for CuI are reported and compared with the available experimental values. The calculated values for the phase-transition pressures (Pt) and the associated volume collapses | V(Pt)/V(0)| are generally in good agreement with their measured data.",

keywords = "Gibbs free energy, High pressure, Structural phase transition, Volume collapse",

author = "Deoshree Baghmar and Purvee Bhardwaj and Gaur, {N. K.} and Sadhana Singh and Gupta, {D. C.}",

year = "2008",

month = may,

day = "21",

doi = "10.1063/1.2927568",

language = "English",

isbn = "9780735405233",

series = "AIP Conference Proceedings",

pages = "278--282",

booktitle = "THERMOPHYSICAL PROPERTIES OF MATERIALS AND DEVICES - IVth National Conferenceon Thermophysical Properties - NCTP'07",

note = "4th National Conference on Thermophysical Properties, NCTP 2007 ; Conference date: 20-09-2007 Through 23-09-2007",

}

Baghmar, D, Bhardwaj, P, Gaur, NK, Singh, S & Gupta, DC 2008, Pressure-induced phase transition in zinc-blend CuI. in THERMOPHYSICAL PROPERTIES OF MATERIALS AND DEVICES - IVth National Conferenceon Thermophysical Properties - NCTP'07. AIP Conference Proceedings, vol. 1004, pp. 278-282, 4th National Conference on Thermophysical Properties, NCTP 2007, Kollam, Kerala, India, 20/09/07. https://doi.org/10.1063/1.2927568

Pressure-induced phase transition in zinc-blend CuI. / Baghmar, Deoshree; Bhardwaj, Purvee; Gaur, N. K. et al.
THERMOPHYSICAL PROPERTIES OF MATERIALS AND DEVICES - IVth National Conferenceon Thermophysical Properties - NCTP'07. 2008. p. 278-282 (AIP Conference Proceedings; Vol. 1004).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - Pressure-induced phase transition in zinc-blend CuI

AU - Baghmar, Deoshree

AU - Bhardwaj, Purvee

AU - Gaur, N. K.

AU - Singh, Sadhana

AU - Gupta, D. C.

PY - 2008/5/21

Y1 - 2008/5/21

N2 - In the present investigation the Zinc-Blende (ZnS) -Tetragonal (Intermediate Phase) -Rock-Salt (NaCl) phase transition pressure of Copper Iodide (CuI) has been predicted using an interionic potential theory. The calculated compression curves and values of different high-pressure properties for CuI are reported and compared with the available experimental values. The calculated values for the phase-transition pressures (Pt) and the associated volume collapses | V(Pt)/V(0)| are generally in good agreement with their measured data.

AB - In the present investigation the Zinc-Blende (ZnS) -Tetragonal (Intermediate Phase) -Rock-Salt (NaCl) phase transition pressure of Copper Iodide (CuI) has been predicted using an interionic potential theory. The calculated compression curves and values of different high-pressure properties for CuI are reported and compared with the available experimental values. The calculated values for the phase-transition pressures (Pt) and the associated volume collapses | V(Pt)/V(0)| are generally in good agreement with their measured data.

KW - Gibbs free energy

KW - High pressure

KW - Structural phase transition

KW - Volume collapse

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DO - 10.1063/1.2927568

M3 - Conference contribution

AN - SCOPUS:43649091820

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BT - THERMOPHYSICAL PROPERTIES OF MATERIALS AND DEVICES - IVth National Conferenceon Thermophysical Properties - NCTP'07

T2 - 4th National Conference on Thermophysical Properties, NCTP 2007

Y2 - 20 September 2007 through 23 September 2007

ER -

Pressure-induced phase transition in zinc-blend CuI

Abstract

Publication series

Conference

Keywords

ASJC Scopus subject areas

Access to Document

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