相关论文: Screening of magnetic moments in PuAm alloy : LDA+…
The ground state equilibrium properties of copper-gold alloys have been explored with the state of art random phase approximation (RPA). Our estimated lattice constants agree with the experiment within a mean absolute percentage error…
Effects of the Co substitution have been observed on the structural, magnetic and magneto-transport properties of Fe2-xCoxMnSi alloy. Curie temperature (TC) and saturation magnetization (MS) of these alloys increased linearly with the Co…
We analyse a sample of 24 damped Lyman-alpha (DLA)/moderate DLA systems at 0.3<z<2.2, all with measurement of the weak MnII absorption lines, to investigate which elemental ratios could possibly be used as tracers of either dust depletion…
Using the combination of a new effective Hamiltonian approach and hybrid Monte-Carlo simulations, we unveil a variety of partially magnetically ordered (PMO) phases in the Kondo lattice model. Our approximation is motivated by two crucial…
Motivated by experiments of scanning tunneling spectroscopy (STS) on self-assembled networks of iron(II)-phtalocyanine (FePc) molecules deposited on a clean Au(111) surface [FePc/Au(111)] and its explanation in terms of the extension of the…
The conduction electron density of states nearby a single magnetic impurity, as measured recently by scanning tunneling microscopy (STM), is calculated. It is shown that the Kondo effect induces a narrow Fano resonance as an intrinsic…
LDA+DMFT, the computation scheme merging the local density approximation and the dynamical mean-field theory, is employed to calculate spectra both below and above the Fermi energy and spin and orbital occupations in the correlated…
We present systematic quantitative description of the magnetoconductance of the split-gate quantum wires. Accounting for the exchange and correlation interactions within the spin density function theory (DFT) leads to the lifting of the…
Recent experimental evidence that fluorinated graphene creates local magnetic moments around F adatoms has not been supported by semilocal density-functional theory (DFT) calculations where the adsorption of an isolated F adatom induces no…
The mechanical properties of Cu-Ti alloys have been characterized extensively through experimental studies. However, a detailed understanding of why the strength of Cu increases after a small fraction of Ti atoms is added to the alloy is…
The total and magnetically resolved Compton profiles are analyzed within the combined density functional and dynamical mean field theory for the transition metal elements Fe and Ni. A rather good agreement between the measured and computed…
Nonmagnetic disorder is shown to quench the screening of magnetic moments in metals, the Kondo effect. The probability that a magnetic moment remains free down to zero temperature is found to increase with disorder strength. Experimental…
The density functional theory (DFT)+U method based on the linear response (LR) theory was applied to investigate the electronic structures of Co-based ternary full Heusler alloy Co$_2Y$Si for exploring half-metallic (HM) ferromagnets with a…
Hund metals have attracted attention in recent years due to their unconventional superconductivity, which supposedly originates from non-Fermi-liquid (NFL) properties of the normal state. When studying Hund metals using dynamical mean-field…
The identification of magnetic quantum critical points in heavy fermion metals has provided an ideal setting for experimentally studying quantum criticality. Motivated by these experiments, considerable theoretical efforts have recently…
We study the electronic and magnetic properties of monolayer Fe$_3$GeTe$_2$ within the DFT+DMFT approach in the paramagnetic phase. We argue that this compound is sufficiently far from the local magnetic moment limit, demonstrating…
Ab initio calculation of the electronic properties of materials is a major challenge for solid state theory. Whereas the experience of forty years has proven density functional theory (DFT) in a suitable, e.g. local approximation (LDA) to…
In a number of systems, including certain semiconductors and unconventional superconductors, the effective density of states varies near the Fermi energy like $|E-E_F|^r$. The behavior of dilute magnetic impurities in such systems is…
Co25Fe75 ferromagnetic films exhibit ultralow magnetic damping. The magnetic damping dependence of Cobalt Iron thin films over a Co composition (23 to 36%) is here reported. The thin film structures were sputter deposited at ambient…
The electronic structure and magnetism of individual Dy atom adsorbed on the MgO(001) substrate is investigated using the combination of the density functional theory with the Hubbard-I approximation to the Anderson impurity model…