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Ravi Kaushik

Publications and source records attributed to Ravi Kaushik.

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Exchange striction determines how fast antiferromagnetic insulators demagnetize

Antiferromagnets combine terahertz spin dynamics with insensitivity to stray fields, and how quickly their order can be manipulated sets the speed limit on device operation. Femtosecond optical pulses demagnetize antiferromagnetic insulators on timescales that span picoseconds to nanoseconds across compounds, and no material parameter is known that accounts for the spread or predicts where a new compound will fall. In a compensated antiferromagnet, no angular momentum needs to leave the spin system, so the rate is set by energy flow from the lattice into the spins. Time-resolved second-harmonic generation experiments show that Cr2O3 demagnetizes within 2 ps once the lattice is driven above the Neel temperature, two orders of magnitude faster than the structurally similar FeBO3. First-principles calculations trace the disparity to exchange striction: short Cr-Cr contacts make the exchange coupling tenfold more sensitive to atomic displacements and widen the phase space for phonon decay into magnon pairs. Spin-lattice simulations with ab initio parameters reproduce the order of magnitude of the measured ratio. The derivative of the exchange coupling with respect to the ionic displacement thus emerges as a computable parameter that predicts how fast an insulating antiferromagnet can be demagnetized. The results advance our understanding of ultrafast control in insulating antiferromagnets, and suggest a practical pathway to screen candidate materials for thermally assisted antiferromagnetic memory before synthesis.

cond-mat.mtrl-sci

Finite temperature magnetic interactions from first principles

Density functional theory has demonstrated remarkable predictive power in calculating magnetic properties at zero temperature. At finite temperatures, thermally excited phonons may affect magnetism. Efficient ab-initio methods to calculate the temperature dependence of magnetic exchange interactions are still lacking despite the importance of room temperature magnetism for applications. Exchange is controlled by an interplay between metal-ligand hybridization, Hubbard repulsion, band gap, interatomic distances and bond angles, all of which change with temperature. Here we present a method to calculate the exchange interactions at finite temperatures from first principles using only two supercell calculations and quantify these mechanisms. Changes in bond angles and the band gap are identified as a primary factors. In NiO with 180-degree bonds exchange decreases with temperature, while in Cr$_2$O$_3$ with the bond angles away from 180 degrees the exchange increases by 10% at room temperature.

cond-mat.str-el

Entangled orbital, spin, and ferroelectric orders in $p$-electron magnet CsO$_2$

Alkali superoxides differ from conventional transition metal magnets, exhibit magnetism from partially occupied oxygen molecular $π^*$-orbitals. Among them, CsO$_2$ stands out for its potential to exhibit novel quantum collective phenomena, such as an orbital order induced Tomonaga-Luttinger liquid state. Using ab-initio Hubbard models, superexchange theory, and experimental spin wave measurements, we propose that CsO$_2$ exhibits unconventional magnetoelectric characteristics at low temperature. Our analysis confirms a canted antiferromagnetic ground state and a spin-flop transition, with ferroelectricity is induced by breaking inversion and time-reversal symmetry in the spin-flop phase. Consequently, our analysis reveals a strong interplay not only between exchange interactions but also among magnetically-induced polarization and orbital order. The magnetic structure, stabilized by orbital order, induces magnetically-induced polarization through an antisymmetric mechanism. Overall, our results reveal the coexistence of three highly entangled orders in CsO$_2$, namely, orbital, spin and ferroelectricity.

cond-mat.str-el