Study of the Pressure Dependence of the Transverse Optical Mode Frequency of Crystals

J. A.O. Bruno; R. M. Fracchia; L. Tribe; A. Batana

Study of the Pressure Dependence of the Transverse Optical Mode Frequency of Crystals

J. A.O. Bruno, R. M. Fracchia, L. Tribe, A. Batana

Division of Science (Berks)

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

Abstract

The Grüneisen parameter γt = -∂lnω_t/∂lnV was calculated for salts with NaCl, CsCl, CaF₂, and zinc-blende structures using the Exchange Charge Model (ECM; NaCl and CsCl structures), the Shell Model (SM; NaCl, CsCl, and CaF₂ structures), and the generalized first Szigeti relation (FS; all structures; E_eff = E was considered for the ZnS structure). Good agreement with the experimental data (considering their uncertainties) was obtained with ECM for NaCl and CsCl structured crystals, SM for CaF₂, and FS for zinc-blende type crystals. Temperature effects and the use of different short-range potential forms and parametrizations were analyzed, showing that the Born-Mayer potential function is an adequate one for all interaction models and salts studied. The need of more precise experimental data and also low-temperature data is emphasized.

Original language	English (US)
Pages (from-to)	84-89
Number of pages	6
Journal	Inorganic Materials
Volume	33
Issue number	1
State	Published - Jan 1997

All Science Journal Classification (ASJC) codes

Chemical Engineering(all)
Inorganic Chemistry
Metals and Alloys
Materials Chemistry

Cite this

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title = "Study of the Pressure Dependence of the Transverse Optical Mode Frequency of Crystals",

abstract = "The Gr{\"u}neisen parameter γt = -∂lnωt/∂lnV was calculated for salts with NaCl, CsCl, CaF2, and zinc-blende structures using the Exchange Charge Model (ECM; NaCl and CsCl structures), the Shell Model (SM; NaCl, CsCl, and CaF2 structures), and the generalized first Szigeti relation (FS; all structures; Eeff = E was considered for the ZnS structure). Good agreement with the experimental data (considering their uncertainties) was obtained with ECM for NaCl and CsCl structured crystals, SM for CaF2, and FS for zinc-blende type crystals. Temperature effects and the use of different short-range potential forms and parametrizations were analyzed, showing that the Born-Mayer potential function is an adequate one for all interaction models and salts studied. The need of more precise experimental data and also low-temperature data is emphasized.",

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AU - Bruno, J. A.O.

AU - Fracchia, R. M.

AU - Tribe, L.

AU - Batana, A.

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N2 - The Grüneisen parameter γt = -∂lnωt/∂lnV was calculated for salts with NaCl, CsCl, CaF2, and zinc-blende structures using the Exchange Charge Model (ECM; NaCl and CsCl structures), the Shell Model (SM; NaCl, CsCl, and CaF2 structures), and the generalized first Szigeti relation (FS; all structures; Eeff = E was considered for the ZnS structure). Good agreement with the experimental data (considering their uncertainties) was obtained with ECM for NaCl and CsCl structured crystals, SM for CaF2, and FS for zinc-blende type crystals. Temperature effects and the use of different short-range potential forms and parametrizations were analyzed, showing that the Born-Mayer potential function is an adequate one for all interaction models and salts studied. The need of more precise experimental data and also low-temperature data is emphasized.

AB - The Grüneisen parameter γt = -∂lnωt/∂lnV was calculated for salts with NaCl, CsCl, CaF2, and zinc-blende structures using the Exchange Charge Model (ECM; NaCl and CsCl structures), the Shell Model (SM; NaCl, CsCl, and CaF2 structures), and the generalized first Szigeti relation (FS; all structures; Eeff = E was considered for the ZnS structure). Good agreement with the experimental data (considering their uncertainties) was obtained with ECM for NaCl and CsCl structured crystals, SM for CaF2, and FS for zinc-blende type crystals. Temperature effects and the use of different short-range potential forms and parametrizations were analyzed, showing that the Born-Mayer potential function is an adequate one for all interaction models and salts studied. The need of more precise experimental data and also low-temperature data is emphasized.

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JO - Inorganic Materials

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Study of the Pressure Dependence of the Transverse Optical Mode Frequency of Crystals

Abstract

All Science Journal Classification (ASJC) codes

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