Related papers: Reversible modulation of orbital occupations via a…
The breaking of orbital degeneracy on a transition metal cation and the resulting unequal electronic occupations of these orbitals provide a powerful lever over electron density and spin ordering in metal oxides. Here, we show how to…
Electrical manipulation of lattice, charge, and spin has been realized respectively by the piezoelectric effect, field-effect transistor, and electric field control of ferromagnetism, bringing about dramatic promotions both in fundamental…
The magnetoelectric coupling effect with profound physics and enormous potential applications has provoked a great number of research activities in materials science. Here, we report that the reversible orbital reconstruction driven by…
An oxide heterostructure made of manganite bilayers and ferroelectric perovskites is predicted to lead to the full control of magnetism when switching the ferroelectric polarizations. By using asymmetric polar interfaces in the…
We present a first-principles study on the interface between perovskite ferroelectrics (PbTiO3) and conducting magnetic manganites La_{1-x}Sr_xMnO3. We show that by switching the ferroelectric polarization, additional carriers are…
We study the manganese oxides from the viewpoint of the strongly correlated doped Mott insulator. The magnetic ordering and the charge transport are governed by the orbital degrees of freedom, and their dimensionality is controlled by the…
The occupation of d-orbitals controls the magnitude and anisotropy of the inter-atomic electron transfer in transition metal oxides and hence exerts a key influence on their chemical bonding and physical properties. Atomic-scale modulations…
A systematic study of the electronic structure in perovskite manganites is presented. The effective Hamiltonian is derived by taking into account the degeneracy of $e_g$ orbitals and strong electron correlation in Mn ions. The spin and…
We propose a reversible mechanism for switching Heisenberg-type exchange interactions between deposited transition metal adatoms from ferromagnetic to antiferromagnetic. Using first-principles calculations, we show that this mechanism can…
The application of modern layer-by-layer growth techniques to transition-metal oxide materials raises the possibility of creating new classes of materials with rationally designed correlated electron properties. An important step toward…
The electronic and magnetic properties of ferromagnetic doped manganites are investigated by means of model tight-binding and \textit{ab initio} self-interaction corrected local spin density approximation calculations. It is found that the…
The microscopic origin of the magnetically-driven ferroelectricity in collinear AFM-E orthorhombic manganites is explained by means of first-principles Wannier functions. We show that the polarization is mainly determined by the "asymmetric…
We predict the giant ferroelectric control of interfacial properties of Ni/HfO2, namely, (i) the magnetocrystalline anisotropy and (ii) the inverse spin and orbital Rashba effects. The reversible control of magnetic properties using…
In strongly correlated electronic systems, such as manganites, the global transport behavior depends sensitively on the spin ordering, whose alteration often requires a large external magnetic field. Here we show that the spin ordering in…
By means of density-functional simulations for half-doped manganites, such as pseudocubic Pr0.5Ca0.5MnO3 and bilayer PrCa2Mn2O7, we discuss the occurrence of ferroelectricity and we explore its crucial relation to the crystal structure and…
We argue that many aspects of improper ferroelectric activity in orthorhombic manganites can be rationalized by considering the limit of infinite intra-atomic splitting between the majority- and minority-spin states (or the double exchange…
By means of ab initio calculations and spin-polarized scanning tunneling microscopy experiments we show how to manipulate the local spin-polarization of a ferromagnetic surface by creating a complex energy dependent magnetic structure. We…
Metal-insulator transition was microscopically investigated by orbital-resolved nuclear magnetic resonance (OR-NMR) spectroscopy in a single crystal of vanadium dioxide VO$_2$. Observations of the anisotropic $^{51}$V Knight shift and the…
Using first-principles calculations, we show that the magnetic properties of a two-dimensional antiferromagnetic transition-metal surface are modified on the atomic scale by the adsorption of small organic molecules. We consider benzene…
We study the possibility of nanoscale phase separation in manganites in the framework of the double exchange model. The homogeneous canted state of this model is proved to be unstable toward the formation of small ferromagnetic droplets…