相关论文: Ab initio calculation of spin fluctuation spectra …
Spin fluctuations have a substantial influence on the electron and lattice behaviors in magnetic materials, which, however, is difficult to be tracked properly by prevalent first-principles methods. We propose a versatile self-adaptive…
We describe our theoretical formalism and computational scheme for making ab-initio calculations of the dynamic paramagnetic spin susceptibilities of metals and alloys at finite temperatures. Its basis is Time-Dependent Density Functional…
A variational formulation of the time--dependent linear response based on the Sternheimer method is developed in order to make practical ab initio calculations of dynamical spin susceptibilities of solids. Using gradient density functional…
A scheme for making ab-initio calculations of the dynamic paramagnetic spin susceptibilities of solids at finite temperatures is described. It is based on Time-Dependent Density Functional Theory and employs an electronic multiple…
Starting from exact expression for the dynamical spin susceptibility in the time-dependent density functional theory a controversial issue about exchange interaction parameters and spin-wave excitation spectra of itinerant electron…
The transverse spin fluctuations are introduced to the density functional theory for superconductors (SCDFT). Paramagnons are treated within the random phase approximation and assumed to be the same for the normal and superconducting state.…
An investigation of possibilities for superconductivity mediated by spin fluctuations in some elementary metals is motivated by the recent discovery of superconductivity in the hcp high-pressure phase of iron. The electronic structure, the…
We present a new method of ab-initio electronic-structure calculation including the spin-fluctuation (SF) self-consistently. We start from the Luttinger-Ward functional given as the sum of the LDA functional plus the temperature-dependent…
Spatial and time scales of spin density fluctuations (SDF) were analyzed in 3d ferromagnets using ab initio linear response calculations of complete wavevector and energy dependence of the dynamic spin susceptibility tensor. We demonstrate…
Spin-disorder resistivity of Fe and Ni and its temperature dependence are analyzed using noncollinear density functional calculations within the supercell method. Different models of thermal spin disorder are considered, including the…
We present an ab initio method for eletcronic structure calculations, which accounts for the interaction of electrons and magnons in ferromagnets. While it is based on a many body perturbation theory we approximate numerically complex…
We discuss the spin fluctuations and the role played by the magnetic susceptibility in an atomic Fermi gas interacting with positive scattering length. Both thermal and quantum fluctuations are considered. Using a sum rule approach and…
Ab initio calculations of the spin wave stiffness constant $D$ for elemental Fe and Ni performed by different groups in the past have led to values with a considerable spread of 50-100 %. We present results for the stiffness constant $D$ of…
We present a systematic analysis on the basis of ab initio calculations and many-body perturbation theory for clarifying the dominant fluctuation in complex charge-spin-orbital coupled systems. For a tight-binding multiband model obtained…
We describe the relation between the isothermal atomic compressibility and density fluctuations in mixtures of two-component fermions with population or mass imbalance. We derive a generalized version of the fluctuation-dissipation theorem…
A phenomenological description for the dynamical spin susceptibility $\chi({\bf q},\omega;T)$ observed in inelastic neutron scattering measurements on powder samples of LiV$_2$O$_4$ is developed in terms of the parametrized self-consistent…
We calculate transverse spin susceptibility in the linear response method based on the ground states determined in the quasi-particle self-consistent $GW$ (QSGW) method. Then we extract spin wave (SW) dispersions from the susceptibility. We…
We study an interacting electronic system exhibiting a spin nematic instability. Using a phenomenological form for the spin fluctuation spectrum near the spin-density-wave (SDW) phase, we compute the spin nematic susceptibility in energy…
We present an ab initio theory of the spin-wave stiffness tensor for ordered and disordered itinerant ferromagnets with pair exchange interactions derived from a method of infinitesimal spin rotations. The resulting formula bears an…
Spin fluctuations have been proposed as a key mechanism for mediating superconductivity, particularly in high-temperature superconducting cuprates, where conventional electron-phonon interactions alone cannot account for the observed…