On the Grüneisen parameter for crystals and glasses

Сандитов, Д. С.; Mantatov, V. V.; Darmaev, M. V.; Сандитов, Б. Д.

doi:10.1134/s1063784209030098

Cited by 16 publications

(7 citation statements)

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“…The Grüneisen parameter γ was calculated with the use of the formulas [33], which make possible the cal culation of this quantity from the known elastic con stants C ij or the Poisson's ratio μ,…”

Section: Resultsmentioning

confidence: 99%

Enthalpy of formation of Schottky defects in semiconductors

Gorichok

2012

Phys. Solid State

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The enthalpy of formation of Schottky defects in crystals of II-VI, III-V, and IV-VI compounds has been calculated with the use of a method based on Mie-Lennard Jones pair potentials, whose parameters have been determined from the experimental data on the Debye temperature, Grüneisen parameter, Pois son's ratio, elastic constants, and bulk modulus. The found values of the enthalpy of formation agree with the known literature data and can be used to calculate the density of these defects in the crystals.

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Section: Resultsmentioning

confidence: 99%

Enthalpy of formation of Schottky defects in semiconductors

Gorichok

2012

Phys. Solid State

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“…The Grüneisen parameter was calculated using the following analytic dependences, which allow this quantity to be determined in terms of either the known stiffness coefficients or Poisson's ratio [35]. Namely,…”

Section: Calculation Of Schottky Defect Formation Energies With the Umentioning

confidence: 99%

“…A IV B VI compounds comprised an exception, because formula (29) did not gave satisfactory -values for them. Therefore, for those crystals, we used the following formula [35], by assuming the Grüneisen parameter to be known [37]:…”

Section: Calculation Of Schottky Defect Formation Energies With the Umentioning

confidence: 99%

“…Hence, in order to determine the equilibrium concentration of defects at the given values of the annealing temperature and the component vapor pressure, a system of equations of type (34)- (35) has to be solved. The energy of neutral defect formation and the variation of the atomic vibration fre- quency in vicinities of defects are the model parameters, which are fitted to achieve the best agreement between the theoretical and experimental dependences ( , ).…”

Section: Calculation Of Vacancy Formation Energies On the Basis Of Hamentioning

confidence: 99%

“…Concerning A II B VI and A IV B VI compounds, the most reliable information on the dependence of the free charge concentration in them on the technological parameters of a two-temperature annealing is available for zinc [62,63], cadmium [9,61], and lead [64] tellurides. The defect concentrations were determined, by numerically solving the system of equations (34), (35). Namely, the quadratic function of the residual magnitudes, min = ∑︀ |± − | 2 was minimized.…”

Section: Calculation Of Vacancy Formation Energies On the Basis Of Hamentioning

confidence: 99%

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Semiempirical Energies of Vacancy Formation in Semiconductors

et al. 2016

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Using the extended Hückel method and the methods based on thermochemical, thermodynamic, and electrophysical data, the energies of vacancy formation in A II VI , A III B V , and A IV B VI semiconductor crystals have been determined. A correlation of the obtained values with one another and with the literature experimental and ab initio theoretical data is established. This testifies to the adequacy of the applied methods and to a possibility of using them for the estimation of the defect concentration in semiconductors. K e y w o r d s: semiconductors, point defects, defect formation energy.

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