Related papers: NMR experiments and electronic structure calculati…

The thermal and lattice dynamical properties of seven silicon clathrate framework structures are investigated with ab initio density functional methods (frameworks I, II, IV, V, VII, VIII, and H). The negative thermal expansion (NTE)…

Recent first-principles calculations have predicted Mn$_{2}$Ni{\it X} ({\it X}=Al, Ga, In, Sn) alloys to be magnetic shape memory alloys. Moreover, experiments on Mn$_{2}$NiGa and Mn$_{2}$NiSn suggest that the alloys deviate from the…

In order to assess the magnetic ordering process in Fe2VAl and the related material Fe2VGa, we have carried out nuclear magnetic resonance (NMR) and Mossbauer studies. 27Al NMR relaxation measurements covered the temperature range 4 -- 500…

Density functional theory calculations are used to investigate a-MnO2, a structure containing a framework of corner and edge sharing MnO6 octahedra with tunnels in between. Placing K+ ions into the tunnels stabilizes a-MnO2 with respect to…

We report on $^{75}$As-NMR measurements in single crystalline BaFe$_{2}$(As$_{0.96}$P$_{0.04}$)$_{2}$ for magnetic fields parallel to the orthorhombic $[110]_{\rm o}$ and $[100]_{\rm o}$ directions above the structural transition…

Molecular-like carbon-nitrogen complexes in GaAs are investigated both experimentally and theoretically. Two characteristic high-frequency stretching modes at \num{1973} and \SI{2060}{cm^{-1}}, detected by Fourier transform infrared…

An $^{17}$O NMR measurement was performed on nonoriented polycrystalline Na$_{0.35}$CoO$_2 \cdot y$H$_2$O with superconducting (SC) transition temperature $T_\text{c} = 4.6$ K. A weak temperature dependence was observed in the Knight shift…

We demonstrate the development of a series of refractory high-entropy alloys containing aluminum AlRHEAs in the ordered BCC-B2 phase by varying the aluminum content within 10 to 25 atomic percent, with the goal of high strength and good…

We have carried out the $^{11}$B NMR measurement on the itinerant paramagnetic systems U$M_{3}$B$_{2}$ ($M =$ Co, Ir) to investigate the low-dimensional characteristics of the $5f$-electrons due to the structural anisotropy. The recent…

An inelastic light (Raman) scattering study of nematicity and critical fluctuations in ${\rm Ba(Fe_{1-x}Co_x)_2As_2}$ ($0\le x \le 0.051$) is presented. It is shown that the response from fluctuations appears only in $B_{1g}$ (${x^2-y^2}$)…

The electronic structure, chemical bonding and interface component in ZrN-AlN nanocomposites formed by phase separation during thin film deposition of metastable Zr1-xAlxN (x=0.0, 0.12, 0.26, 0.40) is investigated by resonant inelastic…

We explore two bilarge neutrino mixing anz$\ddot{a}$tze within the context of Abelian flavor symmetry theories: ($\mathrm{\tt BL_1}$) $\sin\theta_{12}\sim\lambda$, $\sin\theta_{13}\sim\lambda$, $\sin\theta_{23}\sim\lambda$, and…

$\alpha$-clustered structures in light nuclei could be studied through "snapshots" taken by relativistic heavy-ion collisions. A multiphase transport (AMPT) model is employed to simulate the initial structure of collision nuclei and the…

Motivated by recent studies of the cluster Mott insulator candidate compound Nb3Cl8, this study performs 93Nb and 35Cl nuclear magnetic resonance (NMR) measurements to investigate the electron correlations. Below the structural transition…

Machine learning is changing how we design and interpret experiments in materials science. In this work, we show how unsupervised learning, combined with ab initio modeling, improves our understanding of structural metastability in…

Nuclear alpha-clustering has been the subject of intense study since the advent of heavy-ion accelerators. Looking back for more than 40 years we are able today to see the connection between quasimolecular resonances in heavy-ion collisions…

The depth profile of the intrinsic magnetic properties in an Fe/Sm-Co bilayer fabricated under nearly optimal spring-magnet conditions was determined by complementary studies of polarized neutron reflectometry and micromagnetic simulations.…

We examine the vibrational stability of three candidate structures for the B24N24 cage and report their infra-red (IR) and Raman spectra. The candidate structures considered are a round cage with octahedral O symmetry, a cage with S_4…

We report a complete set of $^{59}$Co NMR data taken on the $x=2/3$ phase of sodium cobaltates Na$_{x}$CoO$_{2}$, for which we have formerly established the in plane Na ordering and its three dimensional stacking from a combination of…

75As NMR and susceptiblity were measured in a Ba(Fe1-xCox)2As2 single crystal for x=6% for various field H values and orientations. The sharpness of the superconducting and magnetic transitions demonstrates a homogeneity of the Co doping x…