相关论文: Model for vacancy-induced d$^0$ ferromagnetism in …
We present a comparative, theoretical study of the doping dependence of the critical temperature $T_C$ of the ferromagnetic insulator-metal transition in Gd-doped and O-deficient EuO, respectively. The strong $T_C$ enhancement in…
Defects such as oxygen vacancy are widely considered to be critical for the performance of HfO2-based devices, and yet atomistic mechanisms underlying various exotic effects such as wake-up and fluid imprint remain elusive. Here, guided by…
The off-equilibrium probability distribution of the heat exchanged by a ferromagnet in a time interval after a quench below the critical point is calculated analytically in the large-N limit. The distribution is characterized by a singular…
The potential applications of dilute magnetic oxides (DMOs) in magneto-optic and spintronic devices have attracted significant attention, although understanding their magnetic behavior is complex due to intricate interactions of intrinsic…
The state of art in the theoretical and experimental studies of transition metal doped oxides (dilute magnetic dielectrics) is reviewed. The available data show that the generic non-equilibrium state of oxide films doped with magnetic…
We present theoretical evidence for local magnetic moments on Ti3+ ions in oxygen-deficient anatase and rutile TiO2 observed in a recent experiment [S. Zhou, et al., Phys. Rev. B 79, 113201 (2009)]. Results of our first-principles GGA+U…
Impurity substitution is a general strategy to study the intrinsic properties of a quantum material. However, when the target element has more than one Wyckoff position in the lattice, it is a big challenge but with extreme necessity to…
A phenomenological thermodynamic potential was constructed based on the symmetry analysis and property characterization of bulk DyCo2. An eight-order polynomial of Landau expansion was employed to describe the thermodynamic behavior of…
Applying the local density and dynamical mean field approximations to paramagnetic \gamma-iron we revisit the problem of theoretical description of magnetic properties in a wide temperature range. We show that contrary to \alpha-iron, the…
The antiferromagnetic parent phase of high-T$_c$ cuprates has been established as a N\'eel state of copper moments, but early work pointed out the important role of ligand oxygen orbitals. Using the three-orbital Emery model, we explore…
We investigated the reversible ferromagnetic (FM) behavior of pure and Co doped CeO2 nanopowders. The as-sintered samples displayed an increasing paramagnetic contribution upon Co doping. Room temperature FM is obtained simply by performing…
We investigate phase stability and vacancy formation in fcc Fe-Ni alloys over a broad composition-temperature range, via a density functional theory parametrized effective interaction model, which includes explicitly spin and chemical…
We investigate the possibility of ferromagnetic ordering in the non-degenerate Hubbard model on the face-centered cubic lattice within the functional renormalization group technique using temperature as a scale parameter. We assume the…
The transport and magnetic properties in ferromagnetic manganese-oxide thin films are studied based on the model of the coupling between the mobile d-electrons and the core spins in Mn ions. The spontaneous magnetization and the resistivity…
We investigate the influence of degeneracies of the conduction band and the $f$-orbital on the stability of ferromagnetism in the periodic Anderson model. To this end we calculate the temperature dependence of the inverse susceptibility for…
Quantum anomalous Hall effect (QAHE) has been experimentally observed in magnetically doped topological insulators. However, ultra-low temperature (usually below 300 mK), which is mainly attributed to inhomogeneous magnetic doping, becomes…
Body-centered cubic (bcc) Fe-Mn systems are known to exhibit a complex and atypical magnetic behaviour from both experiments and 0 K electronic-structure calculations, which is due to the half-filled 3d-band of Mn. We propose effective…
The electronic properties, exchange interactions, finite-temperature magnetism, and transport properties of random quaternary Heusler Ni$_{2}$MnSn alloys doped with Cu- and Pd-atoms are studied theoretically by means of {\it ab initio}…
Atomic-scale computational modeling of technologically relevant permanent magnetic materials faces two key challenges. First, a material's magnetic properties depend sensitively on temperature, so the calculations must account for thermally…
The scientists have shown great interest in the search for alternative means to generate energy, which are not contaminants and generate significant damage to the environment. One of the quite viable possibilities for this is to consider…