Related papers: First-Principles Studies of the Atomic, Electronic…
A series of MnO2 unique nanostructures were synthesized by a facile hydrothermal method with microwave-assisted procedures. A novel nanostructure formation mechanism has been proposed, that MnO6 octahedral nuclei and molecular layers can be…
Thin Co-Mn-Sb films of different compositions were investigated and utilized as electrodes in alumina based magnetic tunnel junctions with CoFe counter electrode. The preparation conditions were optimized with respect to magnetic and…
We have investigated the crystal, electronic, and magnetic structure of Mn5O8 by means of state of-the-art density functional theory calculations and neutron powder diffraction (NPD) measurements. This compound stabilizes in the monoclinic…
A paper by Su et al (2013)[1] is focused on the presentation of \b{eta}-MnO2 (pyrolusite) as a new high-capacity electrode for Na batteries, arguing that there is plenty of place in the tunnels to host sodium, which is clearly contrary to…
Tunneled metal oxides such as $\alpha-$Mn$_8$O$_{16}$ (hollandite) have proven to be compelling candidates for charge-storage materials in high-density batteries. In particular, the tunnels can support one-dimensional chains of K$^+$ ions…
Geometrically frustrated magnetic semiconductor $\textrm{CuMnO}_{2}$ has potential applications as photo-catalyst, in photochemical cells and multi-ferroic devices. Electronic band structure in the antiferromagnetic and ferromagnetic phases…
We report first principles modeling of quantum tunneling through amorphous HfO$_2$ dielectric layer of metal-oxide-semiconductor (MOS) nanostructures in the form of n-Si/HfO$_2$/Al. In particular we predict that chemically modifying the…
Memristors based on a double barrier design have been analysed by various nano spectroscopic methods to unveil details about its microstructure and conduction mechanism. The device consists of an AlOx tunnel barrier and a NbOy/Au Schottky…
The electronic and magnetic states of $\beta$-MnO$_{2}$ in terms of hydrogen impurities have been investigated by muon spin rotation ($\mu$SR) technique combined with density-functional theory (DFT) calculations for muon as pseudo-hydrogen.…
The exchange interactions and magnetic structure in layered system CuMnO2 (mineral crednerite) and in nonstoichiometric system Cu1.04Mn0.96O2, with triangular layers distorted due to orbital ordering of the Mn3+ ions, are studied by…
A magnetic tunnel junctions composed of room temperature ferromagnetic semiconductor rutile Ti1-xCoxO2-d and ferromagnetic metal Fe0.1Co0.9 separated by AlOx barrier showed positive tunneling magnetoresistance (TMR) with a ratio of ~11 % at…
Using an advanced tight-binding approach, we estimate the anisotropy of the tunnel transmission associated with the rotation of the 5/2 spin of a single Mn atom forming an acceptor state in GaAs and located near an AlGaAs tunnel barrier.…
The structural and magnetic properties of the hexagonal four-layer form of SrMnO$_3$ have been investigated by combining magnetization measurements, electron diffraction and high-resolution synchrotron X-ray and neutron powder diffraction.…
Cr2Ge2Te6 is an intrinsic ferromagnetic semiconductor with van der Waals type layered structure, thus represents a promising material for novel electronic and spintronic devices. Here we combine scanning tunneling microscopy and…
In the purpose of expanding the family of two-dimensional materials, we predict the existence of two-dimensional octa-structure of nitrogen group elements that are composed of squares and octagons in first-principle method based on density…
The cathode properties of Na2MTiO4 (M: transition-metal element) are investigated by means of density-functional-theory calculations. The stability between the layered structure and the disordered structure are focused in comparison with…
Experimental studies of FeCoB/MgO/FeCoB tunnel junctions indicate that boron diffuses into MgO during rf-sputtering and forms polycrystalline Mg-B-O regions. These tunnel junctions provide high tunneling magnetoresistance values and low RA…
The electronic structure is found to be understandable in terms of free-atom term values and universal interorbital coupling parameters, since self-consistent tight-binding calculations indicate that Coulomb shifts of the d-state energies…
A first-principles electronic structure study of orthorhombic, monoclinic and rhombohedral LiMnO$_{2}$ has been carried out using the full-potential linearized augmented plane-wave method. The exchange and correlations have been treated…
On the basis of density functional theory electronic band structure calculations using the augmented spherical wave method, the electronic and magnetic properties of the orthorhombic and tetragonal phases of Ca3Mn2O7 were investigated and…