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Vibrational anharmonicity effect
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The derived temperature dependences of the peak intensities, separations and half-widths of the separate spectral peaks in the A-band phonon progressions indicate the different trends for vibration-free zero-phonon electronic transition and vibration-related lower-energy electronic transitions to high vibrational levels of the ground electronic state – lower thermal damping and more softened phonon for the zero-phonon transition, also implying the extended defect origin of the A-band photoluminescence.
9p
dianmotminh02
03-05-2024
3
1
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The effects of temperature and pressure on the lattice parameter of barium titanate with cubic structure have been studied by the statistical moment method. The analytic expression of the lattice parameter is obtained by considering the anharmonic lattice vibrations.
9p
visharma
20-10-2023
5
2
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Temperature and pressure dependence of lattice constants of a cubic Strontium Titanate (SrTiO3) has been investigated using the statistical moment method. The lattice constants at various temperatures is derived in closed analytic form by including the anharmonic effects of the lattice vibrations explicitly.
10p
viberkshire
09-08-2023
11
5
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The present paper is organized as follows: In §2, the theory of self-diffusion in semiconductors is described, and the relationship between pressure and volume for silicon is studied in §3. The numerical calculations for self-diffusion in silicon and the related discussions are provided in §4. Finally, §5 summarizes the present study.
7p
runordie5
04-07-2022
14
3
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The moment method in the statistical dynamics is used to study the thermodynamic properties of metals taking into account the anharmonicity effects of the lattice vibrations. The effective pair potentials work well for the calculations of metals. For obtaining better agreement of the thermodynamic quantities of metals like Nb, the many body potentials derived from the microscopic electronic theory are used. The theoretical calculations of the thermodynamic properties are in good agreement with the corresponding experimental results.
9p
runordie5
04-07-2022
9
3
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The thermodynamic properties of metal thin films with body-centered cubic (BCC) structure at ambient conditions were investigated using the statistical moment method (SMM), including the anharmonic effects of thermal lattice vibrations.
12p
vijichoo2711
04-06-2021
25
1
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In this paper, the moment method in statistical dynamics (SMM) is used to study the thermodynamic quantities of AlyGa1-yAs/GaAs systems taking into account the anharmonicity effects of lattice vibrations. The nearest neighbor distance, lattice parameter, isothermal bulk modulus, specific heats at the constant volume and pressure of AlyGa1-yAs/GaAs systems are calculated as functions of the temperature and concentration of Al by using the many-body potential.
8p
tamynhan9
02-12-2020
12
3
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The moment method in statistical dynamics (SMM) is used to study of thermal expansion coefficients of metallic thin films with body-centered cubic (BCC) structure taking into account the anharmonicity effects of the lattice vibrations and hydrostatic pressures. The explicit expressions coefficients of thermal expansion of metallic thin films are derived in closed analytic forms in terms of the power moments of the atomic displacements.
13p
tamynhan9
02-12-2020
10
1
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Some thermodynamic quantities of ZrxCe1-xO2/CeO2 systems are investigated by using the moment method in statistical dynamics taking into account the anharmonicity effects of lattice vibrations. The analytic expression of the Gibbs free energy, Helmholtz free energy, and specific heats at the constant volume of ZrxCe1-xO2/CeO2 systems are obtained.
11p
tamynhan9
02-12-2020
12
1
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The coefficients of thermal expansion of thin metal film with face-centered cubic structure at zero pressure are investigated using the statistical moment method (SMM), including the anharmonic effects of thermal lattice vibration. The Helmholtz free energy, mean-square atomic displacement and linear thermal expansion coefficients are derived in closed analytic forms in terms of the power moments of the atomic displacement.
8p
tamynhan8
04-11-2020
13
1
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In the present study, we developed a formalism based on the statistical moment method (SMM) for pure ceria crystal using the Bukingham potential for investigation of the lattice constant and elastic moduli of yttria-doped ceria crystal including the anharmonicity effects of thermal lattice vibrations. The lattice constant and elastic moduli are calculated as functions of the dopant concentration, temperature and pressure. Our results predict that the lattice constant and elastic moduli decrease rapily with the pressure in agreement with experimental results (in the case pure ceria).
8p
koxih_kothogmih5
04-09-2020
13
2
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The moment method in statistical dynamics is used to study the equation of state and thermodynamic properties of the bcc metals taking into account the anharmonicity effects of the lattice vibrations and hydrostatic pressures. The explicit expressions of the lattice constant, thermal expansion coefficient, and the specific heats of the bcc metals are derived within the fourth order moment approximation.
16p
12120609
01-06-2020
12
0
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We have investigated the thermodynamic properties of the cubic zirconia ZrO2 using the statistical moment method in the statistical physics. The free energy, thermal lattice expansion coefficient, specific heats at the constant volume and those at the constant pressure, CV and CP , are derived in closed analytic forms in terms of the power moments of the atomic displacements.
16p
12120609
01-06-2020
9
1
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Oxygen vacancy diffusion in yttria-doped ceria (YDC) and yttria-stabilized zirconia (YSZ) are investigated using statistical moment method, including the anharmonicity effects of thermal lattice vibrations. The expressions of oxygen vacancy-dopant association energy and oxygen vacancy migration energy are derived in an explicit form.
14p
viaphrodite2711
14-10-2019
8
0
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The thermodynamic properties of the metal thin film with face-centered cubic structure at zero pressure are investigated using the statistical moment method (SMM), including the anharmonicity effects of thermal lattice vibrations. The Helmholtz free energy, linear thermal expansion coefficients, specific heats at the constant volume and those at the constant pressure, CV and Cp are derived in closed analytic forms in terms of the power moments of the atomic displacements.
12p
thuyliebe
12-10-2018
22
0
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Debye-Waller factors (DWFs) of metallic Cu (fcc crystal) in X-ray absorption fine structure (XAFS) presented in terms of cumulant expansion have been studied based on the anharmonic correlated Debye model (ACDM). This ACDM is derived from the many-body perturbation approach and the anharmonic effective potential that includes the first shell near neighbor contributions to the vibration between absorber and backscatterer atoms.
8p
truongtien_09
08-04-2018
31
1
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A new procedure for calculation and analysis of dispersion relation and real atomic vibration of fcc crystals containing dopant atom has been developed using anharmonic effective potential. Analytical expressions for dispersion relation separated by acoustic and optical branches; forbidden zone; effective force constant; Debye frequency and temperature; amplitude and phase of real vibration of atomic chain containing dopant atom have been derived. They contain Morse potential parameters characterizing vibration of each pair of atoms. ...
8p
tuanlocmuido
19-12-2012
47
2
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