Related papers: Revealing the complex nature of bonding in binary …
CuFeO_2 is one of the multiferroic materials and is the first case that the electric polarization is not explained by the magnetostriction model or the spin-current model. We have studied this material using soft x-ray resonant diffraction…
Steelmaking contributes 8% to the total CO2 emissions globally, primarily due to coal-based iron ore reduction. Clean hydrogen-based ironmaking has variable performance because the dominant gas-solid reduction mechanism is set by the…
High-entropy oxide (HEO) thermodynamics transcend temperature-centric approaches, spanning a multidimensional landscape where oxygen chemical potential plays a decisive role. Here, we experimentally demonstrate how controlling the oxygen…
We present evidence for quantum oscillations in the pressure-induced metallic state of the 4$d$ layered perovskite Ca$_2$RuO$_4$. A complicated oscillation spectrum is observed, which is both temperature and field dependent, with unusually…
The goal of this work is to report a systematic and balanced review of the progress made in recent years on the high-pressure behavior of iodates, a group of materials with multiple technological applications and peculiar behaviors under…
We fabricated NiFe2O thin films on MgAl2O4 (001) substrates by reactive dc magnetron co-sputtering in a pure oxygen atmosphere at different substrate temperatures. The film properties were investigated by various techniques with a focus on…
We report high pressure structural phase transformation sequence in a layered Iron-based superconducting compound FeSe0.3Te0.7 to 31 GPa at room temperature. The ambient pressure PbO type tetragonal phase (Space Group - P4/nmm) transforms…
In the layered iron-based superconductor YFe2Ge2, a high Sommerfeld ratio of ~100 mJ/molK^2 and a T^(3/2) temperature dependence of the electrical resistivity at low temperature T indicate strong electronic correlations and point towards an…
At ambient pressure (P) and below 5.5 K, olivine-type Mn2GeO4 hosts a multiferroic (MF) phase where a multicomponent, i.e., multi-k magnetic order generates spontaneous ferromagnetism and ferroelectricity (FE) along the c axis. Under high P…
The results of magnetic and spectral properties calculation for paramagnetic phase of ferropericlase (Fe$_{1/4}$Mg$_{3/4}$)O at ambient and high pressures are reported. Calculations were performed by combined Local Density Approximation +…
We use the constrained random phase approximation (cRPA) method to calculate the Hubbard $U$ parameter in four one-dimensional magnetic transition metal atom oxides of composition XO$_2$ (X = Mn, Fe, Co, Ni) on Ir(100). In addition to the…
A first-principles formalism is employed to investigate the interaction of iron oxide (FeO) with a boron nitride (BN) nanotube. The stable structure of the FeO-nanotube has Fe atoms binding N atoms, with bond length of roughly $\sim$2.1…
Since the first report of ferroelectricity in nanoscale HfO$_2$-based thin films in 2011, this silicon-compatible binary oxide has quickly garnered intense interest in academia and industry, and continues to do so. Despite its deceivingly…
Using powder neutron diffraction we have discovered an unusual magnetic order-order transition in the Ising spin chain compound Ca3Co2O6. On lowering the temperature an antiferromagnetic phase with propagation vector k=(0.5,-0.5,1) emerges…
We investigate the high-pressure behaviour of beryllium, magnesium and calcium difluorides using ab initio random structure searching and density functional theory (DFT) calculations, over the pressure range 0-70 GPa. Beryllium fluoride…
We use a sample of 154 observations of 124 H II regions that have measurements of both Te[O III] and Te[N II], compiled from the literature, to explore the behaviour of the Te[O III]-Te[N II] temperature relation. We confirm that the…
Polycrystalline samples of the layered iron arsenides Sr2CrO3FeAs and Ba2ScO3FeAs were synthesized by high temperature solid state reactions and their crystal structures determined by the X-ray powder diffraction. Their structures are…
The comment of Dubrovinskaia et al. is scientifically flawed. The high-pressure form of boron, discovered by Oganov et al., is indeed new and its bonding has a significant ionic character, as demonstrated in Ref. 1.
Density functional theory calculations have been performed for the structural, electronic, magnetic and ferroelectric properties of a mixed-valence Fe(II)-Fe(III) formate framework [NH$_2$(CH$_3$)$_2$][Fe$^{\rm III}$Fe$^{\rm II}$(HCOO)$_6$]…
The valence of iron has been used in terrestrial studies to trace the hydrolysis of primary silicate rocks. Here, we use a similar approach to characterize the secondary processes, namely thermal metamorphism and aqueous alteration, that…