相关论文: Using first-principles calculations to screen for …

The magnetic properties and magnetocaloric effect of an intermetallic compound $\mathrm{Er_2Rh_3Si}$ was investigated by performing temperature dependence of dc- and ac-magnetic susceptibility and isothermal magnetizations. Polycrystalline…

Two-dimensional van der Waals ferromagnet Fe$_3$GeTe$_2$ (FGT) holds a great potential for applications in spintronic devices, due to its high Curie temperature, easy tunability, and excellent structural stability in air. Theoretical…

A systematic structural study of the Fe2Mo3O8 system as a function of pressure, temperature, and magnetic field reveals that the P63mc space group of this material remains stable for a broad range of these parameters. No changes are seen in…

LaCrGe3 has become a playground to understand quantum critical phenomena in ferromagnetic (FM) materials. It has also garnered attention due to its peculiar two FM phases. Here, we demonstrate the presence of these phases using the Hall…

Low dimensional magnetism has been powerfully boosted as a promising candidate for numerous applications. The stability of the long-range magnetic order is directly dependent on the electronic structure and the relative strength of the…

First-principles molecular dynamics simulations have been employed to analyze the proton diffusion in cubic BaZrO3 perovskite at 1300K, and a non-linear effect of an applied isometric strain of 2% on the lattice parameter has been observed.…

Layered van der Waals ferromagnets, which preserve their magnetic properties down to exfoliated monolayers, are fueling an abundance of fundamental research and nanoscale device demonstration. CrGeTe$_3$ is a prime example for this class of…

Since electronic and magnetic properties of many transition-metal oxides can be efficiently controlled by external factors such as the temperature, pressure, electric or magnetic field, they are regarded as promising materials for various…

LaCoO3 (LCO) nanoparticles were synthesized and their magnetic and structural properties were examined using SQUID magnetometery and neutron diffraction. The nanoparticles exhibit ferromagnetic long-range order beginning at T_C…

Two ferromagnetic phases, FM1 and FM2, were first proposed to exist in LaCrGe$_3$ based on a broad maximum in the temperature derivative of resistivity resembling that of the superconducting ferromagnet UGe$_2$ where FM1 and FM2 are…

The effect of pressure on magnetic properties of LaCoO$_3$ is studied experimentally and theoretically. The pressure dependence of magnetic susceptibility $\chi$ of LaCoO$_3$ is obtained by precise measurements of $\chi$ as a function of…

We propose mechanism for pressure-induced transitions between ferromagnetic and antiferromagnetic phases that relies on a competition between characteristic energy scales ubiquitous among $d$-electron metallic magnetic compounds. Principles…

Through advanced experimental techniques on CrI$_{3}$ single crystals, we derive a previously not discussed pressure-temperature phase diagram. We find that $T_{c}$ increases to $\sim$ 66\,K with pressure up to $\sim$ 3\,GPa followed by a…

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…

Multiscale simulation is a key research tool for the quest for new permanent magnets. Starting with first principles methods, a sequence of simulation methods can be applied to calculate the maximum possible coercive field and expected…

First-principles calculations, in combination with the four-state energy mapping method, are performed to extract the magnetic interaction parameters of multiferroic BiFeO$_3$. Such parameters include the symmetric exchange (SE) couplings…

Perovskite structure SrMnO$_3$ is a rare example of a multiferroic material where strain-tuning and/or cation substitution could lead to coinciding magnetic and ferroelectric ordering temperatures, which would then promise strong…

We report ab initio density functional calculations of the structural and magnetic properties, and the electronic structure of CrAs. To simulate the observed pressure-driven experimental results, we perform our analysis for different…

Superconductivity and magnetism are mutually exclusive in most alloys and elements, so it is striking that superconductivity emerges around a magnetic quantum critical point (QCP) in many strongly correlated electron systems (SCES). In the…

Recently, two-dimensional ferromagnetism in the family of Chromium compounds $\rm CrXTe_3 (X=Si, Ge)$ has attracted a broad research interest. Despite the structural similarity in $\rm CrTe_6$ octahedra, the size effect of inserted Ge or Si…