Related papers: Electronic structures of hexagonal RMnO3 (R = Gd, …

In this work, we present electronic and magnetic properties of CaMnO3 (CMO) as obtained from ab initio calculations. We identify the preferable magnetic order by means of density functional theory plus Hubbard U calculations and extract the…

We use ab initio electronic structure calculations within the generalized gradient approximation (GGA+U) to density functional theory (DFT) to determine the microscopic exchange interactions in the series of orthorhombic rare-earth…

The complex interplay between the 3d and 4f moments in hexagonal ErMnO3 is investigated by magnetization, optical second harmonic generation, and neutron-diffraction measurements. We revise the phase diagram and provide a microscopic model…

In this study, we systematically investigate 3D momentum($\hbar k$)-resolved electronic structures of Ruddlesden-Popper-type iridium oxides Sr$_{n+1}$Ir$_n$O$_{3n+1}$ using soft-x-ray (SX) angle-resolved photoemission spectroscopy (ARPES).…

For La-doped BaSnO$_\text{3}$ thin films grown by pulsed laser deposition, we combine chemical surface characterization and electronic transport studies to probe the evolution of electronic states in the band structure for different…

Transition metal nitrides are a fascinating class of hard coating material that provide an excellent platform for investigating superconductivity and fundamental electron phonon interactions. In this work the structural morphological and…

We report a detailed high-resolution powder neutron diffraction investigation of the structural behaviour of the multiferroic hexagonal polymorph of YMnO3 between room temperature and 1403 K. The study was aimed at resolving previous…

Fundamental understanding of interfacial magnetic properties in ferromagnetic heterostructures is essential to utilize ferromagnetic materials for spintronic device applications. In this paper, we investigate the interfacial magnetic and…

We apply density functional theory and the augmented spherical wave method to analyze the electronic structure of V2O3 in the vicinity of an interface to Al2O3. The interface is modeled by a heterostructure setup of alternating vanadate and…

Perovskite rhodates are characterized by intermediate strengths of both electronic correlation as well as spin-orbit coupling (SOC) and usually behave as moderately correlated metals. A recent publication (Phys. Rev. B 95, 245121(2017)) on…

The development of new computing technologies has given a new stimulus in the study of multiferroics. The use of multiferroics allows the realization of competitive energy efficient scalable logic and storage devices. The low-power…

We develop a procedure to determine the portion of exact Hartree-Fock exchange interaction contained in a hybrid density functional to treat the range of electronic correlation governing the physics of a system as a function of a…

Soft X-ray resonant scattering (XRS) has been used to observe directly, for the first time, the ordering of localized electronic states on both the Mn and Tb sites in multiferroic TbMnO$_3$. Large resonant enhancement of the X-ray…

In order to investigate the optical properties of rubrene we study the vibronic progression of the first absorption band (lowest \pi -> \pi^* transition). We analyze the dielectric function of rubrene in solution and thin films using the…

The authors investigated the structure and properties of GdBaCo$_{2}$O$_{5.5+\delta}$ thin films epitaxially grown on SrTiO$_{3}$ (001) single crystal substrates. The thin films were found to have a notable remnant magnetization above room…

Transition-metal ions with $5d^2$ electronic configuration in a cubic crystal field are prone to have a vanishing dipolar magnetic moment but finite higher-order multipolar moments, and they are expected to exhibit exotic physical…

Strong interplay of fundamental order parameters in complex oxides are known to give rise to exotic physical phenomena. The 4d transition metal oxide SrRhO3 has generated much interest, but advances have been hindered by difficulties in…

Simultaneous studies on the magnetic and electrotransport properties of Nd_{0.67} Sr_{0.33} Mn_{1-x} Fe_x O_3 polycrystalline bulk and epitaxial thin films (x = 0.00 and 0.05) have been carried out. A magnetoresistance (MR) as high as ~ 33%…

Magnetic structure evolution of multiferroic hexagonal $YMn_{1-x}Fe_{x}O_{3}$ (${x} = 0, 0.05,$ and $0.1$) has been studied by carrying out detailed temperature-dependent neutron diffraction at zero- and 5T-fields. Thermodynamic data…

Strong spin-lattice coupling and prominent frustration effects observed in the 50$\%$ Fe-doped frustrated hexagonal ($h$)LuMnO$_3$ are reported. A N\'{e}el transition at $T_{\mathrm N} \approx$ 112~K and a possible spin re-orientation…