Theoretical High Pressure Study of Phonon Density of State and Debye Temperature of Solid C60: Grüneisen Approximation Approach

ALSHEKH, Adnan; KAREEM, Sırwan; MAWLLOD, Salar

doi:10.5541/ijot.900071

Cited by 4 publications

(3 citation statements)

References 19 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Several equations of state have been developed to describe the behavior of solid materials under high pressure [22]. [23,24] …”

Section: K2 Materials and Methods Of Studymentioning

confidence: 99%

“…Sulfur can be crystallized in some different lattices, the well-known orthorhombic structure of Sα comprising of S8 rings [2], it is stable under high pressure up to (20)(21)(22)(23)(24)(25)(26)(27)(28)(29)(30) Gpa and became gradually amorphous on further compression [3,4,5]. Recrystallization starts around 37 Gpa and fully completes only at 75 Gpa [6].…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Study of Thermodynamic Properties of Monoclinic Sulfur (Sβ) Under High Pressure Using Three Different Equations of State for the Treatment Scabies in Dermatology

ALİ¹,

Al-Saqa²,

Sultan³

2022

International Journal of Thermodynamics

View full text Add to dashboard Cite

Thermodynamic properties of monoclinic β-sulfur Sβ under high pressure up to 20 Gpa have been studied, where Orthorhombic α-sulfur Sα changes to Sβ at 94.4℃. The high pressure technology used to tackle the crystallization volume of sulfur Sβ without changes in the chemical properties. Sulfur Sβ can be used after the effect of high pressure in the development of the medicine used to treat scabies. The present study is performed to calculate the effects of high pressure on some important physical properties of the material such as (bulk modulus (B), compression volume ratio (VP/Vo), Grüneisen parameter ), Debye temperature (θD) and phonon frequency spectrum (pfs). Three different equations of state EOS's (Birch-Murnaghan EOS, Vinet EOS and modified Lennard-Jones EOS) were implemented to analyze pressure-volume relationship and then combining calculated data with various expressions of volume dependence of the other thermodynamic properties that are; Bulk modulus, Grüneisen parameter, Debye temperature and phonon frequency spectrum. The behavior of any of these concepts were described in different figures. It was found that, relative volume, and Grüneisen parameter were decreased with high pressure, while the other considered parameters; Bulk modulus, Debye temperature and phonon frequency spectrum were expected to increase as a high pressure is applied.

show abstract

“…Several equations of state have been developed to describe the behavior of solid materials under high pressure [22]. [23,24] …”

Section: K2 Materials and Methods Of Studymentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Study of Thermodynamic Properties of Monoclinic Sulfur (Sβ) Under High Pressure Using Three Different Equations of State for the Treatment Scabies in Dermatology

ALİ¹,

Al-Saqa²,

Sultan³

2022

International Journal of Thermodynamics

View full text Add to dashboard Cite

show abstract

“…Where, O  and  stands for the Grüneisen parameter at zero pressure and high pressure respectively. The pressure dependence  is due to the lattice an-harmonic behavior of crystalline [18]. Various methods were proposed for calculating the Grüneisen parameter at ambient conditions for various metals and alloys.…”

Section: Phonon Lattice Vibrationmentioning

confidence: 99%

High-Pressure Calibration TiN Equation of State

KAREEM,

UONİS,

ALSAQA

2023

International Journal of Thermodynamics

Self Cite

View full text Add to dashboard Cite

High pressure is becoming an interesting area of research for originating vital properties in crystalline solids. In the present study, the pressure equation of the state of TiN was investigated by employing various equations of state (EoS) presented in the literature, such as Dodson EoS, Barden EOS, Birch-Murnaghan (B-M) EoS. The EoSs were processed to find the high-pressure effects on the characterizations of TiN such as volume compression ratio, bulk modulus B, Grüneisen parameter, and phonon frequency spectrum. It was shown that a gigantic pressure results in a significant reduction in the volume of the TiN material, and the volume compression ratio reduction, is almost the same for the existing equations of state and the comparative literature results up to a pressure of 80 GPa. The maximum pressure difference is observed to be 4.85 GPa. over the entire pressure of 120GPa. Increasing the bulk modulus with high pressure was expected by the present EoSs, and up to the pressure of about 60 GPa, all curves of bulk modulus are matched with each other. Eventually, a fair comparison has been made between the present results and the first principle approximation along with the generalized gradient approximation method in which a perfect agreement was observed. Finally, the feasibility of TiN EoS as a standard pressure calibration was demonstrated.

show abstract