Related papers: Strain-induced structural instability in FeRh
The structural and magnetic properties of sputter-deposited Fe$_{100-x}$Ru$_x$ films were studied for $x \leq 50$. The crystal structure of Fe$_{100-x}$Ru$_x$ is shown to be predominantly body-centered cubic for $x<13$ and to undergo a…
We present a first-principles investigation of structural and elastic properties of experimentally observed phases of bulk SrRuO$_3$ - namely orthorhombic, tetragonal, and cubic - by applying density functional theory (DFT) approximations.…
Metallic/intermetalic materials with BCC structures hold an intrinsic instability due to phonon softening along [110] dirrection, causing BCC to lower-symmetry phases transformation when the BCC structures are thermally or mechanically…
Recent years have seen tremendous progress in experimental techniques to create uniaxial strain. Motivated by these advances we investigate the effect of uniaxial strain on LaMnO$_3$ employing ab-initio dynamical mean-field theory, and put…
The phase coexistence present through a first-order phase transition means there will be finite regions between the two phases where the structure of the system will vary from one phase to the other, known as a phase boundary wall. This…
The effects of magnetism on the Bain transformation of $\alpha$-phase FeNi systems are investigated by using the full potential linearized augmented plane wave (FLAPW) method based on the generalized gradient approximation (GGA). We found…
The magnetic correlations in the austenite phase and the consequent martensitic transition in inverse magnetocaloric alloys, Ni$_{2}$Mn$_{1+x}$Sn$_{1-x}$, have been a matter of debate for decades. We conclusively establish using {\it ab…
Grain boundary structural transitions can lead to significant changes in the properties and performance of materials. In multi-principal element alloys, understanding these transitions becomes complex due to phenomena such as local chemical…
Antiferromagnets with tunable phase transitions are promising for future spintronics applications. We investigated spin-dependent transport properties of FeRh thin films, which show a temperature driven antiferromagnetic-to-ferromagnetic…
Density functional theory was used to study the nonmagnetic (NM) and ferromagnetic (FM) phases of face-centered cubic cerium. Functionals of four levels of approximations for the exchange-correlation energy were used: LDA, PBE, LDA/PBE+$U$,…
La doped SrFeO$_{3}$, La$_{1/3}$Sr$_{2/3}$FeO$_{3}$, exhibits a metal-to-insulator transition accompanied by both antiferromagnetic and charge ordering states along with the Fe-O bond disproportionation below a critical temperature near…
The magnetic structure and metal-insulator transition in antiferromagnetic (AFM) BaMn2As2 and Ba1-xKxMn2As2 single crystals have been investigated by 55Mn and 75As nuclear magnetic resonance (NMR) measurements. In the parent AFM insulator…
Achieving atomically flat and stoichiometric films of chiral antiferromagnets (AFM) with two-dimensional kagome spin lattice structures are crucial for integrating these materials in both established and emerging antiferromagnetic…
A series of Fe$_x$Rh$_{100-x}$ ($30 \leq x \leq 57$) films were epitaxially grown using magnetron sputtering, and were systematically studied by magnetization-, electrical resistivity-, and Hall resistivity measurements. After optimizing…
The magnetic ground-state configuration of iron selenide FeSe has been a topic of debate, with experimental evidence suggesting the stripe spin fluctuations as predominant at low temperatures, while density functional theory (DFT)…
The properties of kagome metals are governed by the interdependence of band topology and electronic correlations resulting in remarkably rich phase diagrams. Here, we study the temperature evolution of the bulk electronic structure of the…
The field-reentrant (field-reinforced) superconductivity on ferromagnetic superconductors is one of the most interesting topics in unconventional superconductivity. The enhancement of effective mass and the induced ferromagnetic…
On experimental side, BaFe$_2$As$_2$ without doping has been made superconducting by applying appropriate pressure (2-6 GPa). Here, we use a full-potential linearized augmented plane wave method within the density-functional theory to…
At a temperature of roughly 1\,K, \ce{Sr2RuO4} undergoes a transition from a normal Fermi liquid to a superconducting phase. Even while the former is relatively simple and well understood, the superconducting state is not even after 25…
Due to its proximity to room temperature and demonstrated high degree of temperature tunability, the metamagnetic ordering transition in FeRh is attractive for novel high-performance computing devices seeking to use magnetism as the state…