Related papers: Electronic structure and phase transition in polar…
In our study, we conduct magnetization and heat capacity measurements to investigate field induced magnetic phase transitions within the newly synthesized compound K2Ni2(SeO3)3, a spin-1 dimer system arranged on a triangular lattice. From…
We study the electronic and magnetic structures of multiferroic CaMn$_7$O$_{12}$ by first-principle calculations, based on the experimentally determined modulated crystal structure. We confirm the presence of a 3$d$ orbital modulation of…
This work addresses the effect of substituting Mn$^{3+}$ by Fe$^{3+}$ at the octahedral site of TbMnO$_3$ on the magnetic phase sequence, ferroelectric and magnetoelectric properties, keeping the Fe$^{3+}$ concentration below 5%. The…
We present a theoretical model of the "isostructural" \gamma-\alpha phase transition in Ce which is based on quadrupolar interactions due to coupled charge density fluctuations of 4f electrons and of conduction electrons. Conduction…
Spontaneous symmetry breaking and emergent polar order are each of fundamental importance to a range of scientific disciplines, as well as generating rich phase behaviour in liquid crystals (LCs). Here, we show the union of these phenomena…
Recent interests towards novel functionalities arising at domain walls of ferroic materials naturally call for a microscopic understanding. To this end, first-principles calculations have been performed in order to provide solid evidence of…
We present a comprehensive study of the magnetic structure evolution across the spin reorientation transition in orthorhombic (Pnma) TmCrO3. Magnetic susceptibility reveals canted antiferromagnetic (CAFM) ordering at T_N = 125 K, two…
The nature of the "failed" ferroelectric transition in SrTiO3 has been a long-standing puzzle in condensed matter physics. A compelling explanation is the competition between ferroelectricity and an instability with a mesoscopic modulation…
Elastic and structural properties of $\beta$-Ga$_2$O$_3$ and $\alpha$-Ga$_2$O$_3$ are investigated from first principles. The full elastic tensors and elastic moduli of both phases at $0$ K are computed in the framework of semi-local…
The crystalline structure, magnetism, and magnetocaloric effect of a GdCrO$_3$ single crystal grown with the laser-diode-heated floating-zone technique have been studied. The GdCrO$_3$ single crystal crystallizes into an orthorhombic…
The polycrystalline co-doped samples of Sm0.5Y0.5Fe0.58Mn0.42O3 were prepared by solid-state reaction route and its various physical properties with their correlations have been investigated. The dc magnetization measurements on the sample…
Using an effective Hamiltonian of mutiferroic BiFeO$_3$ (BFO) as a toy model, we explore the effect of the coefficient, C, characterizing the strength of the spin-current interaction, on physical properties. We observe that for larger C…
Co3Si was recently reported to exhibit remarkable magnetic properties in the nanoparticle form [Appl. Phys. Lett. 108, 152406 (2016)], yet better understanding of this material is to be promoted. Here we report a study on the crystal…
We report a comprehensive neutron diffraction study of the crystal structure and magnetic order in a series of single-crystal and powder samples of SrFeO$_{3-\delta}$ in the vacancy range $0 \leq \delta \leq 0.23$. The data provide detailed…
Couplings between ferroelectric and magnetic orders offer promising routes toward low-dissipation electronics. However, such couplings are notably rare, largely due to the poor compatibility between insulating band structures and…
We perform a symmetry analysis of the zero-temperature instabilities of the tetragonal phase of Ca3Mn2O7 and Ca3Ti2O7 which is stable at high temperature. We introduce order parameters to characterize each of the possible lattice…
Layered transition-metal compounds with controllable magnetic behaviors provide many fascinating opportunities for the fabrication of high-performance magneto-electric and spintronic devices. The tuning of their electronic and magnetic…
Magnetic skyrmions are localized magnetic structures that retain their shape and stability over time, thanks to their topological nature. Recent theoretical and experimental progress has laid the groundwork for understanding magnetic…
We study the interplay of structural and polar distortions in hexagonal YMnO3 and short-period PbTiO3/SrTiO3 superlattices by means of first-principles calculations at constrained electric displacement field D. We find that in YMnO3 the…
The microscopic knowledge of the structural, energetic, and electronic properties of scandium fluoride is still incomplete, despite the relevance of this material as an intermediate for the manufacturing of Al-Sc alloys. In a work based on…