High Temperature Thermodynamic Data for CdTe(c)

Brebrick, R. F.

doi:10.1007/s11669-009-9644-5

Cited by 13 publications

(3 citation statements)

References 17 publications

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“…The latter value is close to the experimental one of À1.04 eV. [28] The energy of bulk Cd has been found relaxing the 2-atom crystallographic unit cell, sampling the Brillouin zone with a 22 Â 22 Â 22 k-point grid. Similarly, the energy of bulk Te has been obtained relaxing the crystallographic 3-atom unit cell with the Brillouin zone sampled with a 9 Â 9 Â 9 k-point grid.…”

Section: Electronic Structure Calculationssupporting

confidence: 77%

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Bismuth Doping of CdTe: The Effect of Spin–Orbit Coupling

Rios-Gonzalez¹,

Menéndez-Proupín

Peña³

2020

Physica Status Solidi (b)

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Using the Heyd, Scuseria, and Ernzerhof (HSE) hybrid functional, with the range‐separation parameter modified to match the CdTe bandgap, the electronic structure and thermodynamic properties of bismuth‐doped CdTe are calculated. The energy levels associated with bismuth in CdTe bandgap can be obtained only when the spin–orbit coupling (SOC) is included. Substitutional and interstitial Bi atom positions in CdTe lattice are investigated. Contrary to the outcome of calculations without SOC, these simple defects generate bands inside the CdTe bandgap. These bands can act as intermediate steps in two‐step light absorption processes that lead to increasing the photocurrent in the solar cell.

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Section: Electronic Structure Calculationssupporting

confidence: 77%

“…The CdTe heat of formation Δ H (CdTe) calculated with PBE was −0.78 eV, whereas HSE( ω ) + SOC gave a value of −1.19 eV. The latter value is close to the experimental one of −1.04 eV . The energy of bulk Cd has been found relaxing the 2‐atom crystallographic unit cell, sampling the Brillouin zone with a 22 × 22 × 22 k ‐point grid.…”

Section: Methodssupporting

confidence: 52%

Bismuth Doping of CdTe: The Effect of Spin–Orbit Coupling

Rios-Gonzalez¹,

Menéndez-Proupín

Peña³

2020

Physica Status Solidi (b)

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“…2 (третья стр. обложки) видно, что переход от испарения к росту происходит неда-леко от положения термодинамического равновесия [6], показанного сплошной линией. Следовательно, эти результаты говорят о том, что предсказание кинетики роста пленки CdTe на основе первоприн-ципных данных может быть осуществлено в рамках такого подхода.…”

Section: моделирование осаждения Cdteunclassified

Study of Optimization Options for Second Generation Solar Cell Materials by Multilevel Modeling

Krasikov¹,

Knizhnik²,

Гавриков³

et al. 2015

Izv. vysš. učebn. zaved., Mater. èlektron. teh.

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High Temperature Thermodynamic Properties of ZnTe(s)

Brebrick

2011

J. Phase Equilib. Diffus.

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We have gathered the partial pressure, Knudsen cell, and emf measurements on ZnTe(s) from which the Gibbs energy of formation can be calculated. Published partial pressures of diatomic tellurium have been adjusted to take account of a subsequently published third law analysis of tellurium. The equation used to calculate the total pressure from the rate of mass loss from an extensive set of Knudsen cell measurements has been corrected to give a 5% increase in total pressure and the Gibbs energy of formation has been recalculated. A high temperature heat capacity for ZnTe(s) has been selected from the published data. The Gibbs energies of formation as a function of temperature have then been fit using a third law analysis to give two essentially equally good but extreme fits. In the first, the standard enthalpy of formation agrees with the calorimetric value of 2119 kJ/mol but the standard entropy of ZnTe(s) is low by 2-3 J/mol K. In the second, the standard enthalpy of formation is more positive than the calorimetric values by about 3 kJ/mol but the standard entropy of ZnTe(s) is 82 J/mol K and close to the value from low temperature heat capacity measurements. We select values of 2119.49 kJ/mol for the standard enthalpy of formation and 78.23 J/mol K for the standard entropy.Keywords partial pressures over ZnTe(s), standard enthalpy of formation of ZnTe(s), standard entropy of ZnTe(s), thermodynamic properties of ZnTe(s), third law analysis for ZnTe(s)

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High Temperature Thermodynamic Data for CdTe(c)

Cited by 13 publications

References 17 publications

Bismuth Doping of CdTe: The Effect of Spin–Orbit Coupling

Bismuth Doping of CdTe: The Effect of Spin–Orbit Coupling

Study of Optimization Options for Second Generation Solar Cell Materials by Multilevel Modeling

High Temperature Thermodynamic Properties of ZnTe(s)

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