Related papers: Ferroelectricity in (K@C$_{60}$)$_n$
Ferroelectricity observed in thin film $\mathrm{HfO_2}$, either doped with Si, Al, etc. or in the $\mathrm{Hf_{0.5}Zr_{0.5}O_2}$ form, has gained great technical significance. However, the soft mode theory faces a difficulty in explaining…
Rhombohedral stacked multilayer graphene displays the occurrence of a magnetic surface state at low temperatures. Recent angular resolved photoemission experiments demonstrate the robustness of the magnetic state in long sequences of ABC…
We present exact diagonalization results on a modified Peierls-Hubbard model for the neutral-ionic phase transition. The ground state potential energy surface and the infrared intensity of the Peierls mode point to a strong, non-linear…
The development of Mn-rich cathodes for Li-ion batteries promises to alleviate supply chain bottlenecks in battery manufacturing. Challenges in Mn-rich cathodes arise from Jahn-Teller (JT) distortions of Mn$^{3+}$, Mn migration, and phase…
We study the one-dimensional Holstein model with spin-1/2 electrons at half-filling. Ground state properties are calculated for long chains with great accuracy using the density matrix renormalization group method and extrapolated to the…
We identify the bosonic excitations in ferroelectrics that carry electric dipoles from the phenomenological Landau-Ginzburg-Devonshire theory. The "ferron" quasi-particles emerge from the concerted action of anharmonicity and broken…
Magnetoelectric materials are attractive for several applications, including actuators, switches, and magnetic field sensors. Typical mechanisms for achieving a strong magnetoelectric coupling are rooted in transition metal magnetism. In…
When the Fermi surface and the Brillouin zone boundary touch at a Van Hove point, mean-field analysis predicts a ferromagnetic (Stoner) instability at finite $T_{MF}$ for any coupling strength due to the divergent density of states.…
Magnetoelectric multiferroic materials, particularly type-II multiferroics where ferroelectric polarizations arise from magnetic order, offer significant potential for the simultaneous control of magnetic and electric properties. However,…
Ultrafast electron dynamics in solids under strong optical fields has recently found particular attention. In dielectrics and semiconductors, various light-field-driven effects have been explored, such as high-harmonic generation,…
We report a systematic study of the structure, electric and magnetic properties of Ca$_3$Co$_{2-x}$Mn$_x$O$_6$ single crystals with $x =$ 0.72 and 0.26. The DC and AC magnetic susceptibilities display anomalies with characteristic of the…
We use a lowest Landau level model to study the recent observation of an anomalous Hall effect in twisted bilayer graphene. This effective model is rooted in the occurrence of Chern bands which arise due to the coupling between the graphene…
Consequences of an exceedingly strong electric field (E field) on the ground state energetics and transport properties of a 2D spinless electron gas in a perpendicular magnetic field (a Quantum Hall Effect (QHE) configuration) are…
New relaxor ferroelectric system has been synthesized. BLTN exhibits a smeared maximum of permittivity, characteristic of classic relaxor behaviour, with a peak shift from 185 K at 100 Hz to 300 K at 1 GHz. BNTN undergoes a first order…
Charge-neutral 180$^\circ$ domain walls that separate domains of antiparallel polarization directions are common structural topological defects in ferroelectrics. In normal ferroelectrics, charged 180$^\circ$ domain walls running…
Monolayer graphene at charge neutrality in a quantizing magnetic field is a quantum Hall ferromagnet. Due to the spin and valley (near) degeneracies, there is a plethora of possible ground states. Previous theoretical work, based on a…
Ferroelectrics are widely used for a broad array of technological applications due to their attractive electrical and electromechanical properties. In order to obtain large functional properties, material compositions are often designed to…
The magnetic phase diagram of a ground state is studied theoretically for graphene nanoflakes of bow-tie shape and various size in external in-plane magnetic field. The tight-binding Hamiltonian supplemented with Hubbard term is used to…
We study ferromagnetism and its stability in twisted bilayer graphene. We work with a Hubbard-like interaction that corresponds to the screened Coulomb interaction in a well-defined limit where the Thomas-Fermi screening length…
We present molecular dynamics simulations of a realistic model of an ultrathin film of BaTiO$_3$ sandwiched between short-circuited electrodes to determine and understand effects of film thickness, epitaxial strain and the nature of…