Related papers: NMR experiments and electronic structure calculati…
Bilayer graphene nanoribbon with zigzag edge is investigated with the tight binding model. Two stacking structures, alpha and beta, are considered. The band splitting is seen in the alpha structure, while the splitting in the wave number…
Momentum-transfer (q) dependent non-resonant inelastic x-ray scattering measurements were made at the N4,5 edges for several rare earth compounds. With increasing q, giant dipole resonances diminish, to be replaced by strong multiplet lines…
A weak magnetic order was found in a non-superconducting bilayered-hydrate Na$_{x}$CoO$_{2}\cdot y$H$_{2}$O sample by a Co Nuclear Quadrupole Resonance (NQR) measurement. The nuclear spin-lattice relaxation rate divided by temperature…
We perform core-level X-ray photoemission spectroscopy (XPS) and electronic Raman scattering studies of electronic structures and spin fluctuations in the bulk samples of the nickelate oxide NdNiO$_2$. According to Nd $3d$ and O $1s$ XPS…
^{31}P and ^{75}As NMR measurements were performed in superconducting BaFe_2(As_{0.67}P_{0.33})_2 with T_c = 30 K. The nuclear-spin-lattice relaxation rate T_1^{-1} and the Knight shift in the normal state indicate the development of…
We present an ab-initio study of boron nitride as well as carbon allotropes. Their relative thermodynamic stabilities and structural phase transitions from low- to high-density phases are investigated. Pressure-temperature phase diagrams…
The I-Mn-V antiferromagnet, NaMnBi, develops a very large positive magnetoresistance (MR) up to 10,000% at 2 K and 9 T in crystals showing a semiconductor-to-metal transition (SMT). In the absence of an SMT, a modest (20%) MR is achieved.…
The bandstructure of the zinc-blende phase of AlN, GaN, InN is calculated employing the exact-exchange (EXX) Kohn-Sham density-functional theory and a pseudopotential plane-wave approach. The cation semicore d electrons are treated both as…
Two dimensional InAs/GaAs quantum ring (QR) is considered using the effective potential approach. The symmetry of QR shape is violated as it is in the well-known Bohigas annular billiard. We calculate energy spectrum and studied the spatial…
We report Raman scattering measurement of charge nematic fluctuations in the tetragonal phase of BaFe$_2$As$_2$ and Sr(Fe$_{1-x}$Co$_x$)$_2$As$_2$ (x=0.04) single crystals. In both systems, the observed nematic fluctuations are found to…
In this work, we employ density functional theory (DFT) to explore the structure of boron clusters doped with two aluminium atoms (B$_7$Al$_2$ or Al$_2$B$_7$). The results show that the most stable structure is a bipyramidal configuration…
We present new near infrared spectroscopic measurements for 29 luminous high-z quasars and use the data to discuss the size and other properties of the NLRs in those sources. The high resolution spectra have been used to carefully model the…
By combining ab-initio electron theory and statistical mechanics, the physical properties of the ternary intermetallic system Ni-Fe-Al in the ground state and at finite temperatures were investigated. The Ni-Fe-Al system is not only of high…
We present angle-resolved photoemission studies of (La1-zPrz)2-2xSr1+2xMn2O7 with x=0.4 and z=0.1,0.2 and 0.4 along with density functional theory calculations and x-ray scattering data. Our results show that the bilayer splitting in the…
We studied the structural and magnetic properties of the solid solution Fe$_{1-x}$Ni$_{x}$B through theoretical and experimental approaches. Powder X-ray diffraction, X-ray Pair Distribution Function analysis, and energy dispersive X-ray…
Recent advances in tools for crystal structure analysis enabled us to describe a new phenomenon in structural chemistry, which, to this day, has remained hidden. Here we describe a crystal structure with an incommensurate compositional…
Electronic structure properties of nanowires (NW) with diameters of 1.5 nm and 3 nm based on semimetallic $\alpha$-Sn are investigated by employing density functional theory and perturbative $GW$ methods. We explore the dependence of…
Fundamental weak interactions have been shown to violate parity in both nuclear and atomic systems. However, observation of parity violation in a molecular system has proven an elusive target. Nuclear spin dependent contributions of the…
The observations of GW170817/AT2017gfo have provided us with evidence that binary neutron star mergers are sites of $r$-process nucleosynthesis. However, the observed signatures in the spectra of GW170817/AT2017gfo have not been fully…
Using first-principles calculations, we demonstrate that the magnetic exchange interaction and the magnetocrystalline anisotropy of biatomic Fe chains grown in the trenches of the 5x1 reconstructed Ir(001) surface depend sensitively on the…