Ab initio calculation of electron–phonon coupling in monoclinic β-Ga2O3 crystal
نویسندگان
چکیده
منابع مشابه
Raman tensor elements of β-Ga2O3
The Raman spectrum and particularly the Raman scattering intensities of monoclinic β-Ga2O3 are investigated by experiment and theory. The low symmetry of β-Ga2O3 results in a complex dependence of the Raman intensity for the individual phonon modes on the scattering geometry which is additionally affected by birefringence. We measured the Raman spectra in dependence on the polarization directio...
متن کاملCarbon Isotope Effect in Single-Crystal Rb3C60
The sharp resistive transitions in superconducting single crystals of natural abundance and 99% 13C-enriched Rb3C60 reveal the carbon isotope effect with unprecedented accuracy. The measured isotope exponent aC 0.21 6 0.012 is outside the error bars of all previous reported values. Our precise value for aC, combined with Tc, aRb , and an ab initio calculation of the frequency distribution of th...
متن کاملA B INITIO CALCULATION OF THE KC1 PHONON FREQUENCIES
We have calculated the phonon frequencies of KC1 along symmetry directions using an approach which is a combination of the frozen phonon and force constants methods. We also calculated Griineisen parameters for all modes at X and L points in the Brillouin zone. Finally, the slope of acoustic dispersion curves around zone center were used to calculate the three independent elastic coefficien...
متن کاملAntimalarial Activity of some Conjugated Arylhydrazones: Ab Initio Calculation of Nuclear Quadrupole Coupling Constants (NQCC)
“Malaria” is a life-threatening blood disease in tropical regions that spreads by the bite of the Anopheles mosquito. Antimalarial medications are designed to cure or prevent this infection, and prosperous achievements in this area mostly depend on the knowing the drug-receptor interactions and active sites of medicine. This improvement can be achieved through understanding the electronic struc...
متن کاملLinear-response calculation of electron-phonon coupling parameters.
An ab initio method for calculating electron-phonon coupling parameters is presented. The method is an extension of the plane-wave-based linearresponse method for the calculation of lattice dynamics. Results for the mass enhancement parameter λ and the electron-phonon spectral function αF (ω) for Al, Pb and Li are presented. Comparisons are made to available experimental data. PACS numbers: 63....
متن کامل