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The dipole ordering in Sn(Pb)$_2$P$_2$S(Se)$_6$ materials may be tuned by chemical substitution realizing a ferroelectric quantum phase transition and quantum glassy or relaxor type phenomena on different parts of the phase diagram. The…
We present results of ac susceptibility measurements highlighting the presence of thermal hysteresis and phase coexistence across the ferro-to antiferromagnetic transition in various CeFe$_2$ based pseudobinary systems. These results…
Electronic structure, electrical transport, dc and ac magnetization properties of the hole substituted (Sr2+) partially B-site disordered double perovskite Pr2-xSrxCoMnO6 system have been investigated. Electronic structure was probed by…
The fundamental electrical and thermal properties of the devices consisting of SnxTe1-x/Sb2Te3 superlattice (SnTeSL) materials have been investigated and compared with those of the conventional Ge2Sb2Te5 (GST225) and GeTe/Sb2Te3…
The iron antimonide FeSb$_2$ possesses an extraordinarily high thermoelectric power factor at low temperature, making it a leading candidate for cryogenic thermoelectric cooling devices. However, the origin of this unusual behavior is…
Metal fluoride and oxides can store multiple lithium-ions through conversion chemistry to enable high energy-density lithium-ion batteries. However, their practical applications have been hindered by an unusually large voltage hysteresis…
We present a lattice dynamics study of orthorhombic antimony sulphide (Sb2S3) obtained using density-functional calculations in conjunction with the supercell force-constant method. The effect of Born effective charges is taken into account…
In spin crossover materials, an abrupt phase transition between a low spin state and a high spin state can be driven by temperature, pressure or by light irradiation. Of a special relevance are Fe(II) based coordination polymers where, in…
Driven by interactions due to the charge, spin, orbital, and lattice degrees of freedom, nanoscale inhomogeneity has emerged as a new theme for materials with novel properties near multiphase boundaries. As vividly demonstrated in complex…
The semimetallic Group V elements display a wealth of correlated electron phenomena due to a small indirect band overlap that leads to relatively small, but equal, numbers of holes and electrons at the Fermi energy with high mobility. Their…
Magnetoelectric coupling is vital for exploring fundamental science and driving the development of high-density memory and energy-efficient spintronic devices. Altermagnets, which merge the benefits of ferromagnets and antiferromagnets,…
Some frustrated pyrochlore antiferromagnets, such as Y2Mo2O7, show a spin-freezing transition and magnetic irreversibilities below a temperature Tf similar to what is observed nonlinear magnetization measurements on Y2Mo2O7 that provide…
Polycrystalline Sb 2 Te 3-x Se x (0.0 < x < 1.0) samples were synthesized by the solid state reaction method. The structural analysis showed that up to the maximal concentration of Se, the samples possess the Rhombohedral crystal symmetry…
An intriguingly complex phase diagram of Na-doped SrFe2As2 is uncovered using high-resolution thermal-expansion, magnetization and heat-capacity measurements. The detailed temperature dependence of the orthorhombic distortion and the…
We study the electrical behavior of multiferroic BiFeO$_3$ by means of first-principles calculations. We do so by constraining a specific component of the electric displacement field along a variety of structural paths, and by monitoring…
The contributory mechanisms associated with high piezoelectric response in piezoelectric ceramics have been examined by in-situ electric field dependent high energy synchro x-ray diffraction study. A comparative study of electric field…
In this work we explore the phase diagram of the binary Nb-S system from ambient pressures up to 250 GPa using $ab$ $initio$ evolutionary crystal structure prediction. We find several new stable compositions and phases, especially in the…
We investigate the electronic structure and the ferroelectric properties of the recently discovered multiferroic ScFeO$_3$ by means of ab-initio calculations. The $3d$ manifold of Fe in the half-filled configuration naturally favors an…
Shape Memory Alloys (SMAs) are a class of smart materials that exhibit a macroscopic contraction of up to 5% when heated via an electric current. This effect can be exploited for the development of novel unconventional actuators. Despite…
NdFeO3 modified polycrystalline ceramics with composition (NdFeO3)0.1-(Ba0.7Sr0.3TiO3)0.9 (NFBST) ceramics have been synthesized via solid-state reaction route. The Rietveld refinement of the XRD data confirmed the existence of a tetragonal…