相关论文: Local force method for the ab initio tight-binding…

A novel atomistic-continuum method (ACM) based on finite element method (FEM) is proposed to numerically simulate the nano-scaled Poisson's ratio and Young's modulus effect of Lithium (Li) body-centered cubic (BCC) structure. The potential…

(1) The temperature dependence of the specific heat for a marginal Fermi liquid has been calculated. (2) We calculated the self-energy at T=0 for a two dimensional fermionic system with hyperbolic dispersion. The existence of the saddle…

A wide range of analytical and numerical methods are available to study quantum spin systems. However, the complexity of spin correlations and interactions limits their applicability to specific temperature ranges. The analytical approach…

We investigate the spin-dependent thermoelectric effects in magnetic graphene in both diffusive and ballistic regimes. Employing the Boltzmann and Landauer formalisms we calculate the spin and charge Seebeck coefficients (thermopower) in…

A model of magnetic interactions in the ordered ferromagnetic FePt is proposed on the basis of first-principles calculations of non-collinear magnetic configurations and shown to be capable of explaining recent measurements of magnetic…

We employ the Klemm-Clem transformations to map the equations of motion for the Green functions of a clean superconductor with a general ellipsoidal Fermi surface (FS) characterized by the effective masses $m_1, m_2$, and $m_3$ in the…

We show here how density functional theory calculations can be used to predict the temperatureand orientation-dependence of the yield stress of body-centered cubic (BCC) metals in the thermallyactivated regime where plasticity is governed…

We define a multi-group version of the mean-field spin model, also called Curie-Weiss model. It is known that, in the high temperature regime of this model, a central limit theorem holds for the vector of suitably scaled group…

We investigate the effects of magnetic inhomogeneities and thermal fluctuations on the magnetic properties of a rare earth intermetallic compound, Nd$_2$Fe$_{14}$B. The constrained Monte Carlo method is applied to a Nd$_2$Fe$_{14}$B bulk…

The problem of weak ferromagnetism in antiferromagnets due to canting of magnetic moments was treated using Green's function technique. At first the eigenvalues and eigenfunctions of the electronic Hamiltonian corresponding to collinear…

In order to probe the magnetic ground state, we have carried out temperature dependent magnetic Compton scattering experiments on an oriented single crystal of magnetite (Fe$_3$O$_4$), together with the corresponding first-principles band…

Thermally assisted magnetic writing is an important technology utilizing temperature dependent magnetic properties to enable orientation of a magnetic data storage medium. Using an atomistic spin model we study non-equilibrium field cooled…

Employing ab-initio electronic structure calculations combined with the non-equilibrium Green's function technique, we study the dependence of the thermopower Q on the conformation in biphenyl-based single-molecule junctions. For the series…

Including finite-temperature effects from the electronic degrees of freedom in electronic structure calculations of semiconductors and metals is desired; however, in practice it remains exceedingly difficult when using zero-temperature…

We represent an approach to calculate micromagnetic model parameters such as the tensor of exchange stiffness, Dzyaloshinskii-Moriya interaction (DMI) as well as spin-wave stiffness. The scheme is based on the fully relativistic…

The temperature dependent effective potential (TDEP) method is generalized beyond pair interactions. The second and third order force constants are determined consistently from ab initio molecular dynamics simulations at finite temperature.…

The thermodynamic properties (magnetization, magnetic susceptibility, transverse and longitudinal correlation lengths, specific heat) of one- and two-dimensional ferromagnets with arbitrary spin S in a magnetic field are investigated by a…

The pressure dependence of electronic structure, exchange interactions and Curie temperature in ferromagnetic Heusler alloy Ni2MnSn has been studied theoretically within the framework of the density-functional theory. The calculation of the…

The Quantum Monte Carlo method for spin 1/2 fermions at finite temperature is formulated for dilute systems with an s-wave interaction. The motivation and the formalism are discussed along with descriptions of the algorithm and various…

Numerically exact continuous-time Quantum Monte Carlo algorithm for finite fermionic systems with non-local interactions is proposed. The scheme is particularly applicable for general multi-band time-dependent correlations since it does not…