Related papers: Exotic compositional ordering in Mn-Ni-As intermet…
The nucleation of crystals from the liquid melt is often characterized by a competition between different crystalline structures or polymorphs, and can result in nuclei with heterogeneous compositions. These mixed-phase nuclei can display…
We have performed Density Functional Theory (DFT) based calculations to investigate the effects of stacking patterns on the electronic and magnetic properties of several Nitride MXenes. MXenes, a relatively new addition to the family of…
Crystal structures define how matter is organized at the atomic level. In the realm of crystalline inorganic materials, new structure types are rarely found, and most experimentally-realized structural motifs were established decades ago.…
Partitioning at phase boundaries of complex steels is important for their properties. We present atom probe tomography results across martensite / austenite interfaces in a precipitation-hardened maraging TRIP steel (12.2 Mn, 1.9 Ni, 0.6…
Magnetism in the orthorhombic metal CaFe$_4$As$_3$ was examined through neutron diffraction for powder and single crystalline samples. Incommensurate (${\bm q}_{\rm m}\approx (0.37-0.39)\times{\bm b}^{\ast}$) and predominantly…
The binary manganese aluminium (MnAl) alloy with L$1_0$ crystal structure is a promising rare earth element-free permanent magnetic material because of its exceptional magnetic properties. However, experimentally synthesizing it in a stable…
Heusler alloys with $Ni-Mn-Cu$ (all d-transition metal) composition have been studied; equilibrium structures for different magnetic configurations are found. Elastic constants and tetragonal distortion are analyzed. Distortion effect on…
Intermetallic compounds possess unique atomic arrangements that often lead to exceptional material properties, but their extreme brittleness usually causes fracture at a limited strain of less than 1% and prevents their practical use.…
Using a motif-network search scheme, we studied the tetrahedral structures of the dilithium/disodium transition metal orthosilicates A2MSiO4 with A = Li or Na and M = Mn, Fe or Co. In addition to finding all previously reported structures,…
We investigate the interplay of the electronic and structural transition in La$_{0.2}$Sr$_{0.8}$MnO$_{3}$. The transport and specific heat measurements exhibit unusual evolutions and signature of a first order phase transition around 265 K.…
Exploratory synthesis in novel chemical spaces is the essence of solid-state chemistry. However, uncharted chemical spaces can be difficult to navigate, especially when materials synthesis is challenging. Nitrides represent one such space,…
The structural stability and electronic properties of the ternary intermetallic compounds NiSnM (M = Ti, Zr, Hf) and the closely related Heusler compounds Ni$_2$SnM are discussed using the results of ab initio pseudopotential total energy…
Inelastic and elastic neutron scattering have been used to study a single crystal of the Ni$_{54}$Mn$_{23}$Al$_{23}$ Heusler alloy over a broad temperature range. The paper reports the first experimental determination of the low-lying…
We have investigated the crystal and magnetic structure of Mn${}_{2}$PtPd alloy using powder x-ray and neutron diffraction experiments. This compound is believed to belong to the Heusler family having crystal symmetry…
The fundamental principles underlying the arrangement of elements into solid compounds with an enormous variety of crystal structures are still largely unknown. This study presents a general overview of the structure types appearing in an…
We show that in some transition metal dichalcogenides, minority regions of the cleaved sample surfaces show - unexpectedly and anomalously - a finite number of 2D electronic states instead of the expected 3D valence bands. In the case of…
7M orthorhombic modulated structure in the martensite phase of Ni1.8Pt0.2MnGa is reported by powder neutron diffraction study, which indicates that it is likely to exhibit magnetic field induced strain. The change in the unit cell volume is…
Exploring the vast composition space of multi-component alloys presents a challenging task for both \textit{ab initio} (first principles) and experimental methods due to the time-consuming procedures involved. This ultimately impedes the…
Materials composed of two dimensional layers bonded to one another through weak van der Waals interactions often exhibit strongly anisotropic behaviors and can be cleaved into very thin specimens and sometimes into monolayer crystals.…
We present a comprehensive study of the short-ranged nuclear and magnetic order in the two-dimensional spin glass, Mn$_{0.5}$Fe$_{0.5}$PS$_3$. Nuclear neutron scattering data reveal a random distribution of Mn$^{2+}$ and Fe$^{2+}$ ions…