arXiv subjects
Publications and source records attributed to X. H. Zheng.
With the help of the McMillan formula and virtual crystal model, we predict $T_c$ may exceed 34 K in a beryllium-based alloy with a specific composition, reminiscent of $T_c$ = 35 K in the first cuprate superconductor. This may similarly inspire research efforts to seek high temperature superconductors in ambient.
With a generic model for the electron-phonon spectral density, two simple expressions are derived to estimate the transition temperature and gap-to-temperature ratio in conventional superconductors. They entail that on average the numerical value of the phonon exchange factor, $λ$, is limited to 2.67, so that room temperature superconductivity may be attained only with a Debye temperature of about 1800 K or higher, in materials that may or may not involve hydrogen. They also show that a Be-Pb alloy may become a superconductor at $\sim$44 K.
The understanding of the kinetic properties of hydrogen (isotopes) adatoms on graphene is important in many fields. The kinetic properties of hydrogen-isotope (H, D and T) monomers were simulated using a composite method consisting of density functional theory, density functional perturbation theory and harmonic transition state theory. The kinetic changes of the magnetic property and the aromatic $π$ bond of the hydrogenated graphene during the desorption and diffusion of the hydrogen monomer was discussed. The vibrational zero-point energy corrections in the activation energies were found to be significant, ranging from 0.072 to 0.205 eV. The results obtained from quantum-mechanically modified harmonic transition state theory were compared with the ones obtained from classical-limit harmonic transition state theory over a wide temperature range. The phonon spectra of hydrogenated graphene were used to closely explain the (reversed) isotope effects in the prefactor, activation energy and jump frequency of the hydrogen monomer. The kinetic properties of the hydrogen-isotope monomers were simulated under conditions of annealing for 10 minutes and of heating at a constant rate (1.0 K/s). The isotope effect was observed; that is, a hydrogen monomer of lower mass is desorbed and diffuses more easily (with lower activation energies). The results presented herein are very similar to other reported experimental observations. This study of the kinetic properties of the hydrogen monomer and many other involved implicit mechanisms provides a better understanding of the interaction between hydrogen and graphene.
The BCS theory of superconductivity is extended to recognize pairing of electrons by both normal and umklapp scattering. Application of the variational approach shows that coexistence of normal and umklapp scattering frustrates superconductivity.
In a superconductor electrons form pairs for which the end states of normal and umklapp scattering may overlap. This cuts electron pairing off at a phonon frequency, $ω_c$, low compared with the Debye frequency, $ω_D$. Using this insight, correct values of $2Δ/k_BT_c$ (average error 8.9%) for 12 superconductive metals, including Hg and Pb, are achieved from simple BCS formalism with an average $ω_c/ω_D$ of 0.148: Landau's idea of a Fermi liquid may cover strong-coupling superconductors. The cancellation between normal and umklapp scattering may be more important than a strong electron-phonon interaction in reaching a high critical temperature $T_c$.
The paper has been withdrawn
MgB_2 is considered as a binary system with 2D electrons. The classic BCS theory is applied to this system. The transition temperature is found to be relatively high, because 2D electrons are more capable of moving with the atoms, on top of other features of this system to enhance the electron-phonon interaction. This system may also shed light on the nature of superconductivity in cuprates.
The Hamiltonian and trial function in the BCS theory are improved to test the limit of this theory. The Cooper pairs arise from standing electron waves, ready to move with atoms, giving high Tc. The Hamiltonian is derived from alternating layers of light and heavy atoms, giving a forbidden zone hosting no standing wave pairs. The exchange term may force singlet pairs into this zone, leaving triplet pairs outside, giving magnetic excitations. If the Fermi energy is crossed only by the CuO2 band, then the forbidden zone and triplet pairs will vanish, consistent with experimental evidence.