Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 3 of 3
Full-Text Articles in Entire DC Network
Dielectric Permittivity And Electric Modulus In Bi2Ti4O11, Jianjun Liu, Chun-Gang Duan, Wai-Ning Mei, R. W. Smith, John R. Hardy
Dielectric Permittivity And Electric Modulus In Bi2Ti4O11, Jianjun Liu, Chun-Gang Duan, Wai-Ning Mei, R. W. Smith, John R. Hardy
John R. Hardy Papers
Frequency and temperature dependences of dielectric permittivity and electric modulus of pure and Ba-doped Bi2Ti4O11 were studied in the ranges of 10-1–106 Hz and -150–350 °C, respectively. We found that the antiferroelectric phase transition temperature of Bi2Ti4O11 decreases with Ba doping. In the permittivity studies, we also observed dielectric relaxation peaks shift to higher temperature with increasing frequency. Furthermore, in the electric modulus formalism, conducting peaks were uncovered above 150 °C in addition to the dielectric relaxation peak. We discussed the mechanisms for the dielectric relaxation and …
Spectral Functions Of The Falicov-Kimball Model With Electronic Ferroelectricity, Wei-Guo Yin, Wai-Ning Mei, Chun-Gang Duan, Hai-Qing Lin, John R. Hardy
Spectral Functions Of The Falicov-Kimball Model With Electronic Ferroelectricity, Wei-Guo Yin, Wai-Ning Mei, Chun-Gang Duan, Hai-Qing Lin, John R. Hardy
John R. Hardy Papers
We calculate the angular resolved photoemission spectrum of the Falicov-Kimball model with electronic ferroelectricity where d- and f-electrons have different hoppings. In mix-valence regimes, the presence of strong scattering processes between d – f excitons and a hole, created by emission of an electron, leads to the formation of pseudospin polarons and novel electronic structures with bandwidth scaling with that of d – f excitons. Especially, in the two-dimensional case, we find that flat regions exist near the bottom of the quasiparticle band in a wide range of the d- and f-level energy difference.
Molecular Dynamics Simulation Of The Order-Disorder Phase Transition In Solid Nano2, Wei-Guo Yin, Chun-Gang Duan, Wai-Ning Mei, Jianjun Liu, R. W. Smith, John R. Hardy
Molecular Dynamics Simulation Of The Order-Disorder Phase Transition In Solid Nano2, Wei-Guo Yin, Chun-Gang Duan, Wai-Ning Mei, Jianjun Liu, R. W. Smith, John R. Hardy
John R. Hardy Papers
We present molecular dynamics simulations of solid NaNO2 using pair potentials with the rigid-ion model. The crystal potential surface is calculated by using an a priori method which integrates the ab initio calculations with the Gordon-Kim electron gas theory. This approach is carefully examined by using different population analysis methods and comparing the intermolecular interactions resulting from this approach with those from the ab initio Hartree-Fock calculations. Our numerics show that the ferroelectric-paraelectric phase transition in solid NaNO2 is triggered by rotation of the nitrite ions around the crystallographical c axis, in agreement with recent x-ray experiments [Gohda …