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Temperature dependence of thermopower in the multiorbital Hubbard model is studied by using the dynamical mean-field theory with the non-crossing approximation impurity solver. It is found that the Coulomb interaction, the Hund coupling,…
Chemical bonding governs how atoms interact to form compounds, thereby determining their physicochemical properties. Despite being an elusive concept, chemical bonding has led to the development of models and tools to explain and predict…
Thermodynamic behavior of polymer chains out of equilibrium is a fundamental problem in both polymer physics and biological physics. By using molecular dynamics simulation, we discover a general non-equilibrium mechanism that controls the…
In condensed-matter physics spin-orbit coupling (SOC) is a fundamental physical interaction, which describes how the electrons' spin couples to their orbital motion. It is the source of a vast variety of fascinating phenomena in solids such…
A dilute homogeneous 3D Fermi gas in the ground state is considered for the case of a repulsive pairwise interaction. The low-density (dilution) expansions for the kinetic and interaction energies of the system in question are calculated up…
Exciton optical transitions in transition-metal dichalcogenides offer unique opportunities to study rich many-body physics. Recent experiments in monolayer WSe$_2$ and WS$_2$ have shown that while the low-temperature photoluminescence from…
Transition metal dichalcogenides (TMDs) hold relevance for spin-triplet superconducting phases due to their inherent Ising spin-orbit coupling, but the majority of studies have so far focused on oversimplified models. In this work, we…
The reliable calculation of electronic structures and understanding of electrical properties depends on an accurate model of the crystal structure. Here, we have reinvestigated the crystal structure of the high-zT thermoelectric material…
Understanding the origin of valence band maxima (VBM) splitting in transition metal dichalcogenides (TMDs) is important because it governs the unique spin and valley physics in monolayer and multilayer TMDs. In this work, we present our…
We show that the chemical potential of a one-dimensional (1D) interacting Bose gas exhibits a non-monotonic temperature dependence which is peculiar of superfluids. The effect is a direct consequence of the phononic nature of the excitation…
Crystalline materials with ultralow thermal conductivity are highly desirable for thermoelectric applications. Many known crystalline materials with low thermal conductivity, including PbTe and Bi2Te3, possess a special kind of chemical…
We have found the mechanism of the electron Cooper pair formation via the electron interaction by means of the spin-electron acoustic waves. This mechanism takes place in metals with rather high spin polarization, like ferromagnetic,…
The recent discovery of high-temperature superconductivity in La$_3$Ni$_2$O$_7$ offers a fresh platform for exploring unconventional pairing mechanisms. Starting with the basic argument that the electrons in $d_{z^2}$ orbitals nearly form…
Temperature dependence S(T) of the thermoelectric power of metallic systems with cerium and ytterbium ions exhibits some characteristic features, which can be used to classify these systems into distinct categories. The experimental data…
A profound problem in modern condensed matter physics is discovering and understanding the nature of the fluctuations and their coupling to fermions in cuprates which lead to high temperature superconductivity and the invariably associated…
Possibility of unconventional pairing due to Coulomb interaction in iron-pnictide superconductors is studied by applying a perturbative approach to realistic 2- and 5-band Hubbard models. The linearized Eliashberg equation is solved by…
We study the temperature dependence of static and dynamic responses of Coulomb interacting particles in two-dimensional traps across the thermal crossover from an amorphous solid- to liquid-like behaviors. While static correlations, that…
We use Metropolis Monte Carlo and umbrella sampling to calculate the free energies of interaction of two methane molecules and their charged derivatives in cylindrical water-filled pores. Confinement strongly alters the interactions between…
Many of the fundamental optical and electronic properties of atomically thin transition metal dichalcogenides are dominated by strong Coulomb interactions between electrons and holes, forming tightly bound atom-like excitons. Here, we…
The intermetallic compound ZnSb is an interesting thermoelectric material, largely due to its low lattice thermal conductivity. The origin of the low thermal conductivity has so far been speculative. Using multi-temperature single crystal…