Low-energy excitation energies of a magnetic solid with localized spins are probed by
magnetic susceptibility, neutron scattering and Raman scattering measurements, and are …

We have investigated Mg intercalation into orthorhombic V2O5, one of only three cathodes
known to reversibly intercalate Mg ions. By calculating the ground-state Mg x V2O5 …

The rapid insertion and extraction of Li ions from a cathode material is imperative for the
functioning of a Li-ion battery. In many cathode materials such as LiCoO2, lithiation …

The problem of weak ferromagnetism in antiferromagnets due to canting of magnetic
moments is treated using Green's function technique. At first the eigenvalues and …

Developing new thermoelectric materials with high performance can broaden the
thermoelectric family and is the key to fulfill extreme condition applications. In this work, we …

By the example of sp 3-bonded semiconductors, we illustrate what 3rd-generation muffin-tin
orbitals (MTOs) are. We demonstrate that they can be downfolded to smaller and smaller …

The main mechanisms of formation of a spin gap in low-dimensional metaloxide compounds
are reviewed. Among the objects in which a singlet ground state is formed are dimers …

We have performed first-principle calculations of the electronic structure and exchange
couplings for the nanotube compound Na 2 V 3 O 7 using the local-density approximation …

We report on the microscopic magnetic model of a spin-1 2 magnet BaV 3 O 8. In contrast to
earlier phenomenological analysis, our density-functional band-structure calculations …

A microscopic magnetic model of the low-pressure modification of CdVO 3 is established,
based on density functional theory (DFT) band-structure calculations, magnetization …