2016
DOI: 10.21272/jnep.8(2).02010
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Modeling of Structure, Thermodynamic Properties and Phase Transition Temperaturesof II-VI Crystals

Abstract: The work is devoted to the theoretical calculations and experimental study of important thermodynamic parameters of II-VI crystals. Cubic sphalerite and hexagonal wurtzite cluster models of polymorphs for stoichiometric II-VI crystals (ZnX, CdX; X  S, Se, Te) have been proposed. In the work one carried out the calculations of thermodynamic parameters under normal conditions and defined the analytical expressions of temperature dependences for energy ΔE, enthalpy ΔH, Gibbs free energy ΔG, entropy ΔS for sphale… Show more

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Cited by 3 publications
(2 citation statements)
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“…First, the material may undergo a phase change. For instance, ZnSe will undergo a phase change at from the zincblende crystal structure to the wurtzite structure at approximately 1400 K [36]. This temperature is easily attained at the focal spot of the ULI process.…”
Section: Physical Processesmentioning
confidence: 99%
“…First, the material may undergo a phase change. For instance, ZnSe will undergo a phase change at from the zincblende crystal structure to the wurtzite structure at approximately 1400 K [36]. This temperature is easily attained at the focal spot of the ULI process.…”
Section: Physical Processesmentioning
confidence: 99%
“…In the diamond-like compounds, only half of the tetrahedral structural voids are filled with cations and all octahedral voids are unoccupied . The binary DLS materials crystallize in the cubic zinc blende (sphalerite) or hexagonal wurtzite structures. , Instead, the ternary and quaternary DLS materials usually have tetragonal structures …”
Section: Introductionmentioning
confidence: 99%