Related papers: Revealing the Low Temperature Phase of FAPbI$_3$ u…
MAB phases (MABs) are atomically-thin laminates of ceramic/metallic-like layers, having made a breakthrough in the development of 2D materials. Though theoretically offering a vast chemical and phase space, relatively few MABs have yet been…
Methylammonium lead triiodide (CH3NH3PbI3) perovskite solar cell is a gem in the list of photovoltaic semiconductors. Although there are numerous fundamental and technological questions yet to be addressed covering various aspects of this…
Novel materials incorporating electronic degrees of freedom other than charge, including spin, orbital or valley \textit{et al} have manifested themselves to be of the great interests and applicable potentials. Recently, the multipolar…
We investigate the electronic properties and electron correlations in a three-dimensional (3D) polaron system with tunable dispersion parameter in Fermi-liquid picture. The polaronic coupling is considered as a weakly attractive bare…
We introduce an open-source, fully atomistic second-principles interatomic potential for lead titanate (PbTiO3), a benchmark ferroelectric material known for its strong polarization and hightemperature phase transitions. While density…
MnBi$_2$Te$_4$ has recently been the subject of intensive study, due to the prediction of axion insulator, Weyl semimetal, and quantum anomalous Hall insulator phases, depending on the structure and magnetic ordering. Experimental results…
We study the thermodynamical properties of Fermi vapors confined in a harmonic external potential. In the case of the ideal Fermi gas, we compare exact density profiles with their semiclassical approximation in the conditions of recent…
We study the phase diagram of the asymmetric Hubbard model (AHM), which is characterized by different values of the hopping for the two spin projections of a fermion or equivalently, two different orbitals. This model is expected to provide…
Quasiperiodic systems are an intermediate class of systems between periodic crystals and disordered systems, famously exhibiting metal-insulator transitions (MITs) even in one dimension. While their transport properties have been studied…
High-pressure phases of the hybrid perovskite MAPbBr3 have been investigated in detail using a novel machine learning force field (MLFF). MLFF simulations successfully reproduce the sequence of pressure-induced phase transitions from the…
Implementing topological insulators as elementary units in quantum technologies requires a comprehensive understanding of the dephasing mechanisms governing the surface carriers in these materials, which impose a practical limit to the…
Quantum lattice systems are rigorously studied at low temperatures. When the Hamiltonian of the system consists of a potential (diagonal) term and a - small - off-diagonal matrix containing typically quantum effects, such as a hopping…
Phonon polaritons (PhPs) (light coupled to lattice vibrations) in the highly anisotropic polar layered material molybdenum trioxide (\alpha-MoO_3) are currently the focus of intense research efforts due to their extreme subwavelength field…
All quantum optomechanics experiments to date operate at cryogenic temperatures, imposing severe technical challenges and fundamental constraints. Here we present a novel design of on-chip mechanical resonators which exhibit fundamental…
The recent reaching of 20% of conversion efficiency by solar cells based on metal hybrid perovskites (MHP), e.g., the methylammonium (MA) lead iodide, CH3NH3PbI3 (MAPbI3), has excited the scientific community devoted to the photovoltaics…
The investigations of the crystal structure, magnetic and electronic properties of the Co$_3$BO$_5$ at high temperatures were carried out using powder x-ray diffraction, magnetic susceptibility, electrical resistivity, and thermopower…
The orthorhombic phase of Si-doped Fe carbide is synthesized at high pressures and temperatures using laser-heated diamond anvil cell (LHDAC), followed by its characterization using X-ray diffraction (XRD) measurements, Transmission…
Gallium oxide (Ga$_2$O$_3$) has attracted significant interest for its unique potential especially in power electronics. However, its low and anisotropic thermal conductivity poses a major challenge for heat dissipation. Here, we explore an…
Barium titanate (BaTiO$_3$) is a prototypical ferroelectric perovskite that undergoes the rhombohedral-orthorhombic-tetragonal-cubic phase transitions as the temperature increases. In this work, we develop a classical interatomic potential…
Two-dimensional CrI3 has attracted much attention as it is reported to be a ferromagnetic semiconductor with the Curie temperature around 45K. By performing first-principles calculations, we find that the magnetic ground state of CrI3 is…