Colossal Linear Magnetoelectricity in Polar Magnet Fe_{2}Mo_{3}O_{8}.

The linear magnetoelectric effect is an attractive phenomenon in condensed matters and provides indispensable technological functionalities. Here a colossal linear magnetoelectric effect with diagonal component α_{33} reaching up to ∼480 ps/m is reported in a polar magnet Fe_{2}Mo_{3}O_{8}. This effect can persist in a broad range of magnetic field (∼20 T) and is orders of magnitude larger than reported values in literature. Such an exceptional experimental observation can be well reproduced by a theoretical model affirmatively unveiling the vital contributions from the exchange striction, while the sign difference of magnetocrystalline anisotropy can also be reasonably figured out.

Effect of Mn doping and charge transfer on LaTi1-xMnxO3.

We report the magnetic and electronic transport properties of Mn-doped LaTi1-xMnxO3(x= 0, 0.1, 0.3, 0.5) as a function of temperature and an applied magnetic field. It was found that the Mn-doped samples show a magnetic transition which is not present in the parent LaTiO3. The Mn-doped samples showed fluctuations in magnetization at low fields below their Néel transition temperature indicating electronic phase separation in the material. Increased Mn content in the sample strengthens the ferromagnetic-like moment while maintaining G-type antiferromagnetic phase by charge transfer from Mn to Ti and influencing orbital ordering of the Ti3+t2gorbitals. The results are discussed in parallel with transport and bulk magnetization measurements detailing the electronic behavior. An additional context for the mechanism is supported by first-principles density-function theory calculations.

Electronic-reconstruction-enhanced hydrogen evolution catalysis in oxide polymorphs.

Transition metal oxides exhibit strong structure-property correlations, which has been extensively investigated and utilized for achieving efficient oxygen electrocatalysts. However, high-performance oxide-based electrocatalysts for hydrogen evolution are quite limited, and the mechanism still remains elusive. Here we demonstrate the strong correlations between the electronic structure and hydrogen electrocatalytic activity within a single oxide system Ti2O3. Taking advantage of the epitaxial stabilization, the polymorphism of Ti2O3 is extended by stabilizing bulk-absent polymorphs in the film-form. Electronic reconstructions are realized in the bulk-absent Ti2O3 polymorphs, which are further correlated to their electrocatalytic activity. We identify that smaller charge-transfer energy leads to a substantial enhancement in the electrocatalytic efficiency with stronger hybridization of Ti 3d and O 2p orbitals. Our study highlights the importance of the electronic structures on the hydrogen evolution activity of oxide electrocatalysts, and also provides a strategy to achieve efficient oxide-based hydrogen electrocatalysts by epitaxial stabilization of bulk-absent polymorphs.

Interface-induced multiferroism by design in complex oxide superlattices.

Interfaces between materials present unique opportunities for the discovery of intriguing quantum phenomena. Here, we explore the possibility that, in the case of superlattices, if one of the layers is made ultrathin, unexpected properties can be induced between the two bracketing interfaces. We pursue this objective by combining advanced growth and characterization techniques with theoretical calculations. Using prototype La2/3Sr1/3MnO3 (LSMO)/BaTiO3 (BTO) superlattices, we observe a structural evolution in the LSMO layers as a function of thickness. Atomic-resolution EM and spectroscopy reveal an unusual polar structure phase in ultrathin LSMO at a critical thickness caused by interfacing with the adjacent BTO layers, which is confirmed by first principles calculations. Most important is the fact that this polar phase is accompanied by reemergent ferromagnetism, making this system a potential candidate for ultrathin ferroelectrics with ferromagnetic ordering. Monte Carlo simulations illustrate the important role of spin-lattice coupling in LSMO. These results open up a conceptually intriguing recipe for developing functional ultrathin materials via interface-induced spin-lattice coupling.

Magnetic and electronic properties of La3 MO7 and possible polaron formation in hole-doped La3 MO7 (M = Ru and Os).

Oxides with 4d/5d transition metal ions are physically interesting for their particular crystalline structures as well as the spin-orbit coupled electronic structures. Recent experiments revealed a series of 4d/5d transition metal oxides R 3 MO7 (R: rare earth; M: 4d/5d transition metal) with unique quasi-one-dimensional M chains. Here first-principles calculations have been performed to study the electronic structures of La3OsO7 and La3RuO7. Our study confirm both of them to be Mott insulating antiferromagnets with identical magnetic order. The reduced magnetic moments, which are much smaller than the expected value for ideal high-spin state (3 t 2g orbitals occupied), are attributed to the strong p - d hybridization with oxygen ions, instead of the spin-orbit coupling. The Ca-doping to La3OsO7 and La3RuO7 can not only modulate the nominal carrier density but also affect the orbital order as well as the local distortions. The Coulombic attraction and particular orbital order would prefer to form polarons, which might explain the puzzling insulating behavior of doped 5d transition metal oxides. In addition, our calculations predict that the Ca-doping can trigger ferromagnetism in La3RuO7 but not in La3OsO7.

High-Performance Photothermal Conversion of Narrow-Bandgap Ti2 O3 Nanoparticles.

Ti2 O3 nanoparticles with high performance of photothermal conversion are demonstrated for the first time. Benefiting from the nanosize and narrow-bandgap features, the Ti2 O3 nanoparticles possess strong light absorption and nearly 100% internal solar-thermal conversion efficiency. Furthermore, Ti2 O3 -nanoparticle-based thin film shows potential use in seawater desalination and purification.

Synthesis, Optical, and Magnetic Properties of Ba2Ni3F10 Nanowires.

A low-temperature hydrothermal route has been developed, and pure phase Ba2Ni3F10 nanowires have been successfully prepared under optimized conditions. Under the 325 nm excitation, the Ba2Ni3F10 nanowires exhibit three emission bands with peak positions locating at 360, 530, and 700 nm, respectively. Combined with the first-principles calculations, the photoluminescence property can be explained by the electron transitions between the t2g and eg orbitals. Clear hysteresis loops observed below the temperature of 60 K demonstrates the weak ferromagnetism in Ba2Ni3F10 nanowires, which has been attributed to the surface strain of nanowires. Exchange bias with blocking temperature of 55 K has been observed, which originates from the magnetization pinning under the cooling field due to antiferromagnetic core/weak ferromagnetic shell structure of Ba2Ni3F10 nanowires.

Inversion of Ferrimagnetic Magnetization by Ferroelectric Switching via a Novel Magnetoelectric Coupling.

Although several multiferroic materials or heterostructures have been extensively studied, finding strong magnetoelectric couplings for the electric field control of the magnetization remains challenging. Here, a novel interfacial magnetoelectric coupling based on three components (ferroelectric dipole, magnetic moment, and antiferromagnetic order) is analytically formulated. As an extension of carrier-mediated magnetoelectricity, the new coupling is shown to induce an electric-magnetic hysteresis loop. Realizations employing BiFeO_{3} bilayers grown along the [111] axis are proposed. Without involving magnetic phase transitions, the magnetization orientation can be switched by the carrier modulation driven by the field effect, as confirmed using first-principles calculations.

Strong room-temperature blue-violet photoluminescence of multiferroic BaMnF4.

BaMnF4 microsheets have been prepared using a hydrothermal method. Strong room-temperature blue-violet photoluminescence has been observed (an absolute luminescence quantum yield of 67%) with two peaks located at 385 nm and 410 nm. More interestingly, photon self-absorption phenomenon has been observed, leading to an unusual abrupt decrease in the luminescence intensity at a wavelength of 400 nm. To understand the underlying mechanism of such emission, the electronic structure of BaMnF4 has been studied using first principles calculations. The observed two peaks are attributed to electron transitions between the upper-Hubbard bands of the Mn's t2g orbitals and the lower-Hubbard bands of the Mn's eg orbitals. The Mott gap mediated d-d orbital transitions may provide additional degrees of freedom to tune the photon generation and absorption in ferroelectrics.

Strain driven sequential magnetic transitions in strained GdTiO3 on compressive substrates: a first-principles study.

The compressive strain effect on the magnetic ground state and electronic structure of strained GdTiO3 has been studied using the first-principles method. Unlike the cases of congeneric YTiO3 and LaTiO3, both of which become the A-type antiferromagnetism on the (0 0 1) LaAlO3 substrate despite their contrastive magnetism, the ground state of strained GdTiO3 on the LaAlO3 substrate changes from the original ferromagnetism to a G-type antiferromagnetim, instead of the A-type one although Gd(3+) is between Y(3+) and La(3+). It is only when the in-plane compressive strain is large enough, e.g. on the (0 0 1) YAlO3 substrate, that the ground state finally becomes the A-type. The band structure calculation shows that the compressive strained GdTiO3 remains insulating, although the band gap changes a little in the strained GdTiO3.