Related papers: Simulating terahertz field-induced ferroelectricit…
The structural and polar properties of BiFeO3 at finite temperature are investigated using an atomistic shell model fitted to first-principles calculations. Molecular Dynamics simulations show a direct transition from the low-temperature…
During laser-induced phase transitions, fast transformations of electronic, atomic, and spin configurations often involve emergence of hidden and metastable phases. Being inaccessible under any other stimuli, such phases are indispensable…
We have used a first-principles-based scheme to compute the temperature-versus-misfit strain ``Pertsev'' phase diagram of ultrathin films of {\sl incipient} ferroelectric KTaO$_3$. Our results suggest that, at variance with the bulk…
Nonequilibrium dynamics are studied near the quantum phase transition point in the one-dimensional quantum Blume-Emery-Griffiths model. Its pseudo-spin component $ S^z $ represents an electric polarization, and $ (S^z)^2 $ corresponds to…
Superconductivity in doped SrTiO$_3$ was discovered in 1964, the first superconducting transition observed in a doped semiconductor. However, the mechanism of electron pairing in SrTiO$_3$ remains a subject of debate. By developing a…
Recent experiments probing a new ferroelectric liquid crystal (CLF08) confined in cells with planar alignment have shown dielectric and optic anomalies suggesting the onset of ferrielectric ordering within the surface lattice of…
We present a first-principles investigation of ferroelectricity in layered perovskite oxide La2Ti2O7 (LTO), one of the compounds with highest Curie temperature known (1770 K). Our calculations reveal that LTO's ferroelectric transition…
THz-range dielectric spectroscopy and first-principle-based effective-Hamiltonian molecular dynamics simulations were employed to elucidate the dielectric response in the paraelectric phase of (Ba,Sr)TiO3 solid solutions. Analysis of the…
Electrical field and light-illumination have been two most widely used stimuli in tuning the conductivity of semiconductor devices. Via capacitive effect electrical field modifies the carrier density of the devices, while light-illumination…
The ferroelectric to paraelectric phase transition in LiTaO$_3$ and in pure as well as Mg doped LiNbO$_3$ is investigated theoretically by atomistic calculations in the framework of the density functional theory, as well as experimentally…
Proximity to phase transitions (PTs) is frequently responsible for the largest dielectric susceptibilities in ferroelectrics. The impracticality of using temperature as a control parameter to reach those large responses has motivated the…
The effect of a variety of intrinsic defects and defect clusters in bulk and thin films of SrTiO$_3$ on ferroelectric polarization and switching mechanism is investigated by means of density-functional-theory (DFT) based calculations and…
A single-site dynamical mean field study of a three band model with the rotationally invariant interactions appropriate to the t_2g levels of a transition metal oxide reveals a quantum phase transition between a paramagnetic metallic phase…
We perform a magneto-optical study of a two-dimensional electron systems (2DES) in the regime of the Stoner ferromagnetic instability for even quantum Hall filling factors on Mg$_x$Zn$_{1-x}$O/ZnO heterostructures. Under conditions of…
Phase diagram of solid solutions of antiferroelectric and ferroelectric materials like PbZr$_{1-x}$Ti$_x$O$_3$ (PZT), Rb$_x$(NH$_4$)$_{1-x}$H$_2$PO$% _4$ (RADP) is calculated at the region $x\leq 0.1$. Antiferroelectric and ferroelectric…
We have conducted a detailed high-pressure (HP) investigation on $Eu-$doped $BaTiO_3$ using angle-resolved x-ray diffraction, Raman spectroscopy, dielectric permittivity and dc resistance measurements. The x-ray diffraction data analysis…
We studied the novel multiferroic material Sr$_2$FeSi$_2$O$_7$, and found 3 absorption modes above the magnetic ordering transition temperature using time-domain terahertz spectroscopy. These absorption modes can be explained as the optical…
The octahedral tilting and ferroelectric-like structural transition of LiOsO3 metallic perovskite [Nature Materials 12, 1024 (2013)] was examined using first-principles density-functional theory. In LiOsO3, a-a-a- octahedral titling mode is…
There are two silver perovskite oxides: AgNbO3 and AgTaO3. AgNbO3 has a noncentrosymmetric group of Pmc21 at room temperature with a ferri-electric ordering of polarization. Such a ferri-electric state with small polarization can be changed…
Light-matter interaction is one of the key routes to understanding and manipulating geometric and electronic behaviors of materials, especially two-dimensional materials which are optically accessible owing to their high surface to volume…