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The effects of pressure on a quantum spin liquid are investigated in an organic Mott insulator $\kappa$-(ET)$_2$Ag$_2$(CN)$_3$ with a spin-1/2 triangular lattice. The application of negative chemical pressure to…
Tin-based halide perovskites have emerged as promising lead-free alternatives for optoelectronic applications, yet their structural stability and phase behavior at finite temperatures remain challenging to predict. Here, we assess the…
We propose a scheme to realize a pseudospin-$1/2$ model of the $^{1}\Sigma(v=0)$ bialkali polar molecules with the spin states corresponding to two sublevels of the first excited rotational level. We show that the effective dipole-dipole…
The spin-transfer torque (STT) in Co2MnSi(CMS)/Al/Co2MnSi spin-valve system with and without interfacial disorder is studied by a first-principles noncollinear wave-function-matching method. It is shown that in the case of clean interface…
We provide an algorithm for evolving general spin-$s$ Gross-Pitaevskii / non-linear Schr\"odinger systems carrying a variety of interactions, where the $2s+1$ components of the `spinor' field represent the different spin-multiplicity…
Topological insulators (TIs) are an unusual phase of quantum matter with nontrivial spin-momentum locked topological surface states (TSS). The electrical detection of spin-momentum locking of the TSS in 3D TIs has been lacking till very…
We present an algorithm and implementation of integral-direct, density-fitted Hartree-Fock (HF) and second-order M{\o}ller-Plesset perturbation theory (MP2) for periodic systems. The new code eliminates the formerly prohibitive storage…
We report the studies of detailed magnetic relaxation and isothermal magnetization measurements in the vortex state of the 112-type iron-pnictide Ca$_{0.82}$La$_{0.18}$Fe$_{0.96}$Ni$_{0.04}$As$_2$ superconductor with $T_c$ $\sim$ 22 K. In…
Topological insulators give rise to exquisite electronic properties due to their spin-momentum locked Dirac-cone-like band structure. Recently, it has been suggested that the required opposite parities between valence and conduction band…
Optically active spin defects in van der Waals (vdW) materials have recently emerged as versatile quantum sensors, enabling applications from nanoscale magnetic field detection to the exploration of novel quantum phenomena in condensed…
We consider a two-dimensional (2D) two-component spinor system with cubic attraction between the components and intra-species self-repulsion, which may be realized in atomic Bose-Einstein condensates, as well as in a quasi-equilibrium…
We study a model of hard-core bosons with short-range repulsive interactions at half-filling on the kagome lattice. Using quantum Monte Carlo (QMC) numerics, we find that this model shows a continuous superfluid to insulator quantum phase…
We report a configuration strategy for improving the thermoelectric (TE) performance of two-dimensional (2D) transition metal dichalcogenide (TMDC) WS2 based on the experimentally prepared WS2/WSe2 lateral superlattice (LS) crystal. On the…
The problem of N interacting spins on a lattice is equivalent to one of N clusters linked in a specific manner. The energy of any configuration of spins can be expressed in terms of the energy levels of this cluster. A new expression is…
We report an Inelastic Neutron Scattering (INS) study of the fully deuterated molecular compound K6[V15As6O42].9(D2O) (V15). Due to geometrical frustration, the essential physics at low temperatures of the V15 cluster containing 15 coupled…
The 2-D electron system (2DES) in Si metal-oxide field-effect transistors (MOSFETS) consists of two distinct electron fluids interacting with each other. We calculate the total energy as a function of the density $n$, and the spin…
We show that numerical linked cluster expansions (NLCEs) based on sufficiently large building blocks allow one to obtain accurate low-temperature results for the thermodynamic properties of spin lattice models with continuous disorder…
The organic charge-transfer salt EtMe$_3$P[Pd(dmit)$_2$]$_2$ is a quasi-two-dimensional Mott insulator with localized spins $S$ = 1/2 residing on a distorted triangular lattice. Here we report measurements of the uniaxial thermal expansion…
The electronic properties of monolayer tin dulsulphide (ML-SnS2), a recently synthesized metal dichalcogenide, are studied by a combination of first-principles calculations and tight-binding (TB) approximation. An effective lattice…
Experimentally determined empirical formulae for the concentration dependent relative permittivity of aqueous solutions of MgCl$_{2}$ and NiCl$_{2}$ are utilized to calculate the osmotic coefficient and the mean activity coefficient of…