Related papers: Effects of Isotope Substitution on Local Heating a…
We investigate the interplay of quantum interference effects and electronic-vibrational coupling in electron transport through single-molecule junctions, employing a nonequilibrium Green's function approach. Our findings show that inelastic…
We model, simulate, and analyze the intramolecular modes of liquid H2O and D2O to elucidate how energy excitation, relaxation, and vibrational dephasing interplay through anharmonic mode-mode coupling. Our analysis employs two-dimensional…
We present a rigorous quantum scattering study of the effects of hyperfine and Zeeman interactions on cold Li - H$_{2}$ collisions in the presence of an external magnetic field using a recent ab initio potential energy surface. We find that…
Interfaces play a crucial role in energy transport at the nanoscale. However, direct experimental observations of interfacial thermal conductance across molecular junctions have remained challenging due to the high spatiotemporal resolution…
We investigate rotational state changes in a single collision of diatomic molecular ions, polar or apolar, with an atomic ion. Rotational state changes may occur since the angular degree of freedom of the molecular ions interacts with the…
Current-voltage characteristics of planar junctions formed by an epitaxial c-axis oriented YBa2Cu3O7-x thin film micro-bridge and Ag counter-electrode were measured in the temperature range from 4.2 K to 300 K. A hysteretic behavior related…
Based on the Isospin-dependent transport model Boltzmann-Uehling-Uhlenbeck (IBUU), effects of the difference of the high momentum tails (HMTs) of nucleon momentum distribution in colliding nuclei on some isospin-sensitive observables are…
It is shown that the translation-invariant bipolaron theory of superconductivity can explain the dependence of the isotope coefficient in high-temperature superconductors on the critical temperature of a superconducting transition: in the…
TThe isotope effect is a powerful probe of electron-phonon interactions in solid-state systems, offering key insights into how atomic mass influences emergent quantum states. Here, the impact of oxygen isotope substitution ($^{16}{\rm…
Accurate knowledge of the electrical and thermal conductivities and structural properties of hydrogen-helium mixtures under thermodynamic conditions within and beyond the immiscibility range is very important to predict the thermal…
In conventional superconductors, the electron pairing that allows superconductivity is caused by exchange of virtual phonons, which are quanta of lattice vibration. For high-transition-temperature (high-Tc) superconductors, it is far from…
Experimental data on proton-proton interactions in high energy collisions show quite a special and unexpected behaviour of the proportion of elastic scattering compared to inelastic processes with increasing energy. It decreases at the…
Superconducting (SC) diodes are key passive building blocks for future SC electronics. However, realizing their active counterparts is essential for functional logic. Here, we demonstrate deterministic nonvolatile electrical switching of…
The interrelationship between a material's structure and its properties lies at the heart of materials-related research. Finding how the changes of one affect the other is of primary importance in theoretical and computational materials…
Electronic current flowing in a molecular electronic junction dissipates significant amounts of energy to vibrational degrees of freedom, straining and rupturing chemical bonds and often quickly destroying the integrity of the molecular…
The electrical conductance of molecular junctions may strongly depend on the temperature, and weakly on molecular length, under two distinct mechanisms: phase-coherent resonant conduction, with charges proceeding via delocalized molecular…
The properties of hydrogen at high pressure have wide implications in astrophysics and high-pressure physics. Its phase change in the liquid is variously described as a metallization, H2-dissociation, density discontinuity or plasma phase…
The Diep and Johnson (DJ) H$_2$-H$_2$ potential energy surface (PES) obtained from the first principles [P. Diep, K. Johnson, J. Chem. Phys. 113, 3480 (2000); 114, 222 (2000)], has been adjusted through appropriate rotation of the…
The tunneling reaction H$_2$ + D$^-$ $\rightarrow$ HD + H$^-$ was studied in a recent experimental work at low temperatures (10, 19, and 23~K) by Endres {\it et al.}, Phys. Rev. A {\bf 95}, 022706 (2017). An upper limit of the rate…
The deuterium fractionation of gas-phase molecules in hot cores is believed to reflect the composition of interstellar ices. The deuteration of methanol is a major puzzle, however, because the isotopologue ratio [CH2DOH]/[CH3OD], which is…