Related papers: Electron spin mediated distortion in metallic syst…
The onset of distortion in one-dimensional monatomic chains with partially filled valence bands is considered to be well-established by the Peierls theorem, which associates the distortion with the formation of a band gap and a subsequent…
The Jahn-Teller effect is a fascinating and ubiquitous phenomenon in modern quantum physics and chemistry. We propose a class of oxides with melilite structure Ba$_2$TGe$_2$O$_7$ (T=V,Ni) where Jahn-Teller distortions are the main…
We show that the observed transition from rocksalt to orthorhombic P$_{nma}$ symmetry in CrN can be understood in terms of stress anisotropy. Using local spin density functional theory, we find that the imbalance between stress stored in…
Cubic to tetragonal distortion in spinel compounds have been a contentious issue for last two decades. Different groups have proposed different mechanisms to understand such a distortion in these spinels, which are: (i) spin lattice…
We report on detailed structural, electronic and magnetic studies of GdMn$_{1-x}$Cr$_x$O$_3$ for Cr doping levels 0 $\le$ $x$ $\le$ 1. In the solid solutions, the Jahn-Teller distortion associated with Mn$^{3+}$ ions gives rise to major…
We study the effects of magneto-elastic coupling on the degenerate ground spin-state of the antiferromagnetic Heisenberg model on a regular tetrahedron of spin-1/2. When displacement of spin is considered as a classical variable, the…
The Hubbard model has been employed successfully to understand many aspects of correlation driven physical properties, in particular, the magnetic order in itenerant electron systems. In some systems such as Heusler alloys, manganites etc.,…
The properties of transition metal compounds are largely determined by nontrivial interplay of different degrees of freedom: charge, spin, lattice, but also orbital ones. Especially rich and interesting effects occur in systems with orbital…
Understanding how local distortions determine the functional properties of high entropy materials, containing five or more elements at a crystallographic site, is an open challenge. We address this for a compositionally complex spinel oxide…
Magnetic ordering in the geometrically frustrated magnetic oxide spinels MgCr_2O_4 and ZnCr_2O_4 is accompanied by a structural change that helps relieve the frustration. Analysis of high-resolution synchrotron X-ray scattering reveals that…
Free electrons can screen out long-range Coulomb interaction and destroy the polar distortion in some ferroelectric materials, whereas the coexistence of polar distortion and metallicity were found in several non-central-symmetric metals…
Analysis of the intriguing physical properties of the dodecaborides, $R$B$_{12}$, requires accurate data on their crystal structure. We show that a simple cubic model fits well with the atomic positions in the unit cell but cannot explain…
The Jahn-Teller distortion and the resulting orbital order usually cause some fascinating correlated electronic behaviors, and generally lead to antiferromagnetism in perovskite bulks. Here we demonstrate that the Jahn-Teller distortion…
Using low-temperature scanning tunneling microscopy, we demonstrate an unambiguous 1-D system that surprisingly undergoes a CDW instability on a metallic substrate. Our ability to directly and quantitatively measure the structural…
The mechanical properties of a solid, which relate its deformation to external applied forces, are key factors in enabling or disabling the use of an otherwise optimal material in any application, strongly influencing also its service…
We study in this paper bond distortion effect on electric polarization in spiral multiferroic magnets based on cluster and chain models. The bond distortion break inversion symmetry and modify the $d$-$p$ hybridization. Consequently, it…
Half-metallic Heusler alloys are amongst the most promising materials for future magnetoelectronic applications. We review some recent results on the electronic properties of these compounds. The origin of the gap in these half-metallic…
We study the effects of magneto-elastic coupling on the degenerate ground state of the antiferromagnetic Heisenberg model on regular triangle and tetrahedron clusters of spin-1/2. Both give very similar results. Static distortion lifts the…
We present a theory of the metal-insulator transition in a disordered two-dimensional electron gas. A quantum critical point, separating the metallic phase which is stabilized by electronic interactions, from the insulating phase where…
KCrF3 represents another prototypical orbital-ordered perovskite, where Cr2+ possesses the same electronic configuration of 3d4 as that of strongly Jahn-Teller distorted Mn3+ in many CMR manganites. The crystal and magnetic structures of…