Open AccessCalculation Morse potential parameters under temperature and pressure effects in expanded X-ray absorption fine structure spectra
Author(s) -
Đức Nguyễn Bá,
Hiệp Trịnh Phi,
Thọ Vũ Quang,
Thụ Nguyễn Văn
Publication year - 2021
Publication title -
khoa học
Language(s) - English
Resource type - Journals
ISSN - 2354-1431
DOI - 10.51453/2354-1431/2020/421
Subject(s) - morse potential , anharmonicity , lattice constant , interatomic potential , materials science , sublimation (psychology) , compressibility , diamond , thermal expansion , semiconductor , potential energy , germanium , spectral line , thermodynamics , molecular physics , condensed matter physics , chemistry , atomic physics , diffraction , silicon , optics , computational chemistry , physics , astronomy , psychology , optoelectronics , molecular dynamics , metallurgy , composite material , psychotherapist
A new method for estimating the effective parameters of Morse potential under thermal disorder and pressure effects for materials has crystals structure developed by using the energy of sublimation, the compressibility, and the lattice constant. Use the Morse potential parameters received to calculate the mean square relative displacement, spring constants, anharmonic interatomic effective potential, and local force constant for silicic and germanium semiconductor crystals, are the materials have diamond structure crystals. The received results suitable for the experimental values and other theories.