Related papers: Magneto-structural correlations in a systematicall…
The changes in magnetic properties of Ce(Fe0.9Co0.1)2 compound with increasing disorder are discussed in the paper. Homogeneous alloys are known to undergo the phase transition from ferromagnetic to antiferromagnetic state accompanied by…
The effects of various point defects and lattice distortions on the structural, electronic, and magnetic properties of Co$_2$MnAl alloy are investigated using density functional theory calculations. For the point defects, six types of…
Disorder in magnetic systems typically suppresses long-range order, promoting short-range states such as spin glasses and magnetic clusters. This is particularly prominent in high-entropy materials, characterized by the random distributions…
In this paper, we present a theoretical formulation of magnetization dynamics in disordered binary alloys based on Kubo linear response theory interfaced with the combination of seamlessly three approaches; density functional based…
Altermagnetism has been recently experimentally verified by photoemission mapping of the spin order in momentum space in MnTe and CrSb, which feature two anisotropic sublattices with antiparallel magnetic dipole moments. In this work, we…
We show that the magnetism of double perovskite AFe_{1/2}M_{1/2}O_3 systems may be described by the Heisenberg model on the simple cubic lattice, where only half of sites are occupied by localized magnetic moments. The nearest-neighbor…
We used single-crystal x-ray and neutron diffraction to investigate the crystal and magnetic structures of trigonal lattice iridate Ca2Sr2IrO6. The crystal structure is determined to be $R\bar3$ with two distinct Ir sites. The system…
Motivated by growing indications for a distinct form of nematic correlations in the extremely hole doped iron pnictide compounds $A$Fe$_2$As$_2$ ($A$=K,Rb,Cs), we consider spin-driven nematic order in the general case of incommensurate…
Using the density functional theory, we perform a full atomic relaxation of the bulk ferrite with 12.5%-concentration of monoatomic interstitial Cr periodically located at the edges of the bcc Fe$_\alpha$ cell. We show that structural…
The recent synthesis of the chromium selenide compound LiCrSe$_2$ constitutes a valuable addition to the ensemble of two-dimensional triangular lattice antiferromagnets (2D-TLA). In this work we present the very first comprehensive study of…
Bulk Au-Fe alloys separate into Au-based fcc and Fe-based bcc phases, but L1$_0$ and L1$_2$ orderings were reported in single-phase Au-Fe nanoparticles. Motivated by these observations, we study the structural and ordering energetics in…
Nematic orders emerge nearly universally in iron-based superconductors, but elucidating their origins is challenging because of intimate couplings between orbital and magnetic fluctuations. The iron-based ladder material BaFe2S3, which…
Using Density Functional Theory (DFT) calculations and Monte-Carlo (MC) simulations, we investigate the recently reported magnetic transition in B2 Al-Cr-Co alloys. The Cr sublattice is alloyed with different amounts of Co in the…
It is shown that in all types of metallic magnets the coupling of the order parameter to the conduction electrons leads to an order-parameter susceptibility that is long-ranged at zero temperature. This is true for all known classes of…
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…
The electronic, magnetic, and thermodynamic properties of ordered and chemically disordered FeRh alloy is studied using ab-initio methods. The equiatomic Fe$_{50}$Rh$_{50}$ composition is reported for both ordered and disordered phases.…
Fe-based metallic glasses are promising functional materials for advanced magnetism and sensor fields. Tailoring magnetic performance in amorphous materials requires a thorough knowledge of the correlation between structural disorder and…
A 2-Q antiferromagnetic order of the ferromagnetic dimers was found below TN = 2.9 K in the Shastry-Sutherland lattice BaNd2ZnS5 by single crystal neutron diffraction. The magnetic order can be understood by the orthogonal arrangement of…
The magnetic ground state phase diagram of the disordered Hubbard model at half-filling is computed in dynamical mean-field theory supplemented with the spin resolved, typical local density of states. The competition between many-body…
Metastable Co$_2$Ti$_3$O$_8$ was synthesized through a topochemical reaction using Li$_2$CoTi$_3$O$_8$ as the precursor, resulting in a vacancy-ordered spinel structure. Crystal structure analysis confirmed that Co ions selectively occupy…