Related papers: Correlation trends in the hyperfine structure for …
We present first-principles density functional calculations of the electronic structure, magnetism, and structural stability of 378 $\textit{XYZ}$ half-Heusler compounds (with $X=$ Cr, Mn, Fe, Co, Ni, Ru, Rh, $Y=$ Ti, V, Cr, Mn, Fe, Ni,…
Twenty-one distinct AlxCoCrFeNi alloys were rapidly prepared by laser alloying an equiatomic CoCrFeNi substrate with Al powder to create an alloy library ranging x=0.15-1.32. Variations in crystal structure, microstructure and mechanical…
Antiferromagnetic Heisenberg spin chains with various spin values ($S=1/2,1,3/2,2,5/2$) are studied numerically with the quantum Monte Carlo method. Effective spin $S$ chains are realized by ferromagnetically coupling $n=2S$…
Motivated by the experimental detection of superconductivity in the low-carrier density half-Heusler compound YPtBi, we study the pairing instabilities of three-dimensional strongly spin-orbit coupled semimetals with a quadratic band…
Energy levels, hyperfine interaction constants, and Land\'e $g_J$-factors are reported for n=2 states in beryllium-, boron-, carbon-, and nitrogen-like ions from relativistic configuration interaction calculations. Valence, core-valence,…
Recent developments of high-order CCM have been to extend existing formalism and codes to $s \ge \frac 12$ for both the ground and excited states. In this article, we describe how "generalised" expectation values for a wide range of one-…
In the framework of the nonrelativistic quantum chromodynamics factorization formalism, we study the processes of $\psi(nS)$ and $\Upsilon(nS)$ decay into a lepton pair or a charm pair associated with two jets up to the next-to-leading…
New ultra-hard rhombohedral B2N2 and BC2N - or hexagonal B6N6 and B3C6N3 - are derived from 3R graphite based on crystal chemistry rationale schematizing a mechanism for 2D => 3D transformation. Full unconstrained geometry optimizations…
Nuclear magnetic resonance, electron paramagnetic resonance and magnetization measurements show that bulk Li$_x$ZnPc are strongly correlated one-dimensional metals. The temperature dependence of the nuclear spin-lattice relaxation rate…
The hyperfine structure in the 6p2-configuration in lead has been analysed and the results is compared with calculations. The hyperfine anomaly and improved values of the nuclear magnetic moment for four lead isotopes is obtained, using the…
We have addressed here the problem of calculating the correlation function of a stable particle with a resonance, in particular one resonance that qualifies as a molecular state of two components. The formalism used requires to evaluate the…
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…
The AlCrTiV high entropy alloy undergoes an order-disorder transition from body centered cubic (Strukturbericht A2) at high temperatures to the CsCl structure (B2) at intermediate temperatures. We model this transition using first…
This work deals with the analysis of experimental data on the average magnetization of $Fe_{1-x}Me_x$ (Me=Sn,Si) disordered alloys, the average and local hyperfine fields (HFF) at the Fe nuclei. The effect of the metalloid concentration on…
Spherically-symmetric ground states of alkali-metal atoms do not posses electric quadrupole moments. However, the hyperfine interaction between nuclear moments and atomic electrons distorts the spherical symmetry of electronic clouds and…
Accurately describing strong electron correlation in complex systems remains a prominent challenge in computational chemistry as near-term quantum algorithms treating total correlation often require prohibitively deep circuits. Here we…
Magnetic correlations of two iso-structural quasi-one-dimensional (1D) antiferromagnetic spin-chain compounds Sr$M_2$V$_2$O$_8$ ($M$ = Co, Mn) have been investigated by magnetization and powder neutron diffraction. Two different collinear…
Disorder has long been a difficult subject in condensed matter systems and the The replica method is a well-known tool in this field. Implementing the replica method the AdS/CFT correspondence has been proposed and discussed in literatures.…
Topological phases, like the celebrated Haldane phase in spin-1 chains, defy characterization through local order parameters. Instead, non-local string order parameters can be employed to reveal their hidden order. Similar diluted magnetic…
The hyperfine splitting of the ground state of H-, Li-, and B-like ions is investigated in details within the range of nuclear numbers Z = 7-28. The rigorous QED approach together with the large-scale configuration-interaction…