相关论文: Strain-induced anion ordering in perovskite oxyflu…
In insulating materials with ordered magnetic spiral phases, ferroelectricity can emerge due to the breaking of inversion symmetry. This property is of both fundamental and practical interest, in particular with a view to exploiting it in…
Epitaxial La2NiMnO6 thin films have been grown on (001)-oriented SrTiO3 using the PLD technique. The thin films are semiconducting and FM with a TC close to 270K, a coercive field of 920Oe, and a saturation magnetization of 5muB per f.u.…
We use resonant and non-resonant X-ray diffraction measurements in combination with first-principles electronic structure calculations and Monte Carlo simulations to study the relationship between crystal structure and multiferroic orders…
Antiferromagnetic materials are promising platforms for the development of ultra-fast spintronics and magnonics due to their robust magnetism, high-frequency relativistic dynamics, low-loss transport, and the ability to support topological…
Structural study of orbital-ordered manganite thin films has been conducted using synchrotron radiation, and a ground state electronic phase diagram is made. The lattice parameters of four manganite thin films, Nd0.5Sr0.5MnO3 (NSMO) or…
At ambient pressure, bulk SrCoO$_{3}$ is a ferromagnetic (FM) metal in cubic perovskite structure. By contrast, magnetic properties of epitaxial SrCoO$_{3}$ thin films, especially at high tensile strain ($\varepsilon \gtrsim 3$\%), remain…
Density functional theory is used to study the effect of compressive and tensile biaxial strain on Mn$_{3}$GaN. Mn$_{3}$GaN is a non-collinear antiferromagnetic antiperovskite with a similar structure to that of an ideal cubic oxide…
Compositionally tunable vanadium oxyhydrides Sr2VO4-xHx (x = 0 - 1) without considerable anion vacancy were synthesized by high-pressure solid state reaction. The crystal structures and their properties were characterized by powder neutron…
In heavy-fermion compounds, the dual character of $f$ electrons underlies their rich and often exotic properties like fragile heavy quasipartilces, variety of magnetic orders and unconventional superconductivity. 5$f$-electron actinide…
The orthorhombically distorted perovskite NaMnF$_{3}$ has been predicted to become ferroelectric if an $a=c$ distortion of the bulk $Pnma$ structure is imposed. In order to test this prediction, NaMnF$_{3}$ thin films were grown on…
The strong exchange interaction between 3$d$-4$f$ magnetic sublattice in rare-earth perovskites introduces a variety of complex magnetic states hosting fascinating electronic ground states with exotic properties. Especially when it comes to…
Ferroelectric nitrides have emerged as promising semiconductor materials for modern electronics. However, their domain structures and associated properties are basically unknown, despite their potential to result in optimized or new…
The first examples of single crystal epitaxial thin films of a high entropy perovskite oxide are synthesized. Pulsed laser deposition is used to grow the configurationally disordered ABO3 perovskite, Ba(Zr0.2Sn0.2Ti0.2Hf0.2Nb0.2)O3,…
The large spin-orbit coupling in iridium oxides plays a significant role in driving novel physical behaviors, including emergent phenomena in the films and heterostructures of perovskite and Ruddlesden-Popper iridates. In this work, we…
Epitaxial strain is a proven route to enhancing the properties of complex oxides, however, the details of how the atomic structure accommodates strain are poorly understood due to the difficulty of measuring the oxygen positions in thin…
In this work, we use density functional theory calculations to demonstrate how spontaneous electric polarizations can be induced \textit{via} a hybrid improper ferroelectric mechanism in iodide perovskites, a family well-known to display…
In this paper, an efficient computational material design approach (cluster expansion) is employed for the ferroelectric $PbTiO_3$/$SrTiO_3$ system. Via exploring a conguration space including over $3 \times 10^6$ candidates, two special…
Here, the first-principles predictions on the structural stability, magnetic behavior and electronic structure of B-site ordered double perovskite Nd$_{2}$FeCrO$_{6}$ have been reported. Initially, the ground state of the parent single…
The puzzling nature of magnetic and lattice phase transitions of iron pnictides is investigated via a first-principles Wannier function analysis of representative parent compound LaOFeAs. A rare ferro-orbital ordering is found to give rise…
Using first-principle calculations, we restrained the m=1 oxyfluoride Aurivillius Bi$_2$TiO4F$_2$ to adopt three ordered key configurations, such as tetragonal $I4/mmm$ phases with fluorine anions distributed either at the octahedral apical…