Pressure effects on electron charge densities and lattice dynamics in CsCl and CsI

Pattyn, Hugo; Abd-Elmeguid, M. M.; Bukshpan, S.; Milants, K; Verheyden, Joris

doi:10.1103/physrevb.51.10357

Cited by 7 publications

(10 citation statements)

References 22 publications

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“…The high pressure Mössbauer effect results on CsI reveal the important role played by the Cs-5p band along with I-5p band [15]. Under the compression of V/V 0 = 0.78, from the shielding effect the 6s electron density is estimated as 0.24 electron for CsI [15]. In our calculation, this density is computed as 0.236 electron, which is in agreement with the above.…”

Section: Band Structuresupporting

confidence: 50%

“…This charge distribution in CsI indicates that the bonding is of ionic character under normal conditions [6,8]. The high pressure Mössbauer effect results on CsI reveal the important role played by the Cs-5p band along with I-5p band [15]. Under the compression of V/V 0 = 0.78, from the shielding effect the 6s electron density is estimated as 0.24 electron for CsI [15].…”

Section: Band Structurementioning

confidence: 98%

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Pressure dependence of structural phase transition and superconducting transition in CsI

Louis

Iyakutti²

2003

Physica Status Solidi (b)

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The self-consistent band structure calculation for CsI performed both in CsCl and HCP structures using the TB-LMTO method is reported. The equilibrium lattice constant, bulk modulus and the phasetransition pressure at which the compound undergoes structural phase transition from CsCl to HCP are predicted from the total-energy calculations. The band structure, density of states (DOS), electronic charge distributions, metallization and superconducting transition temperature (T c ) of CsI are obtained as a function of pressure for both the CsCl and HCP structures. It is found that the charge transfer from s and p states to d state causes metallization and superconductivity in CsI. The highest T c estimated is 2.11 K and the corresponding pressure is 1.8 Mbar. This value is in agreement with the recent experimental observation. The experimental trend -"metallization and superconductivity is rather insensitive to the crystal structure of CsI" -is also confirmed in our work.

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Section: Band Structuresupporting

confidence: 50%

Section: Band Structurementioning

confidence: 98%

Pressure dependence of structural phase transition and superconducting transition in CsI

Louis

Iyakutti²

2003

Physica Status Solidi (b)

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“…In addition, the least-sqares fits to the experimental data [7] of g for CsI with (3) and (6), respectively, are shown in Fig. 2.…”

Section: Discussionmentioning

confidence: 99%

“…In the case of CsI, the experimental data of both the Debye temperature and the Gru È neisen parameter are available [6,7]. With Eq.…”

Section: Theory and Applicationmentioning

confidence: 99%

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On the Pressure Dependence of the Debye Temperature in Solids

Fang

2000

phys. stat. sol. (b)

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On the pressure dependence of the Grüneisen parameter and debye temperature for CsI crystals

Kulkarni

Abd‐Elmeguid

Bukshpan

et al. 1996

Physica Status Solidi (b)

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An analysis of the pressure dependence of the Griineisen parameter y and the Debye temperature 8 for CsI based on the model developed by Kumari and Dass is presented. From the pressure dependence of the recoilless fraction behaviour y is deduced which shows that y varies linearly with pressure as y ( p , T ) = yoyp, where q is found to be pressure independent. 8 ( p ) also displays a linear variation with p , which is consistent with the recoilless fraction behaviour of y-ray emission or absorption in the Mossbauer effect for low pressures. Various thermodynamic approximations implied in the analysis are tested and found to be true.

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Pressure effects on electron charge densities and lattice dynamics in CsCl and CsI

Cited by 7 publications

References 22 publications

Pressure dependence of structural phase transition and superconducting transition in CsI

Pressure dependence of structural phase transition and superconducting transition in CsI

On the Pressure Dependence of the Debye Temperature in Solids

On the pressure dependence of the Grüneisen parameter and debye temperature for CsI crystals

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