Related papers: Strong Orbital Interaction in pi-pi Stacking Syste…
The structure of membrane-active peptides and their interaction with lipid bilayers can be studied in oriented lipid membranes deposited on solid substrates. Such systems are desirable for a number of surface-sensitive techniques. Here we…
A two state (2-MO) model for the low-lying long axis-polarised excitations of poly(p-phenylene) oligomers and polymers is developed. First we derive such a model from the underlying Pariser-Parr-Pople (P-P-P) model of pi-conjugated systems.…
Spin-charge-orbital ordered structures in doped layered manganites are investigated using an orbital-degenerate double-exchange model tightly coupled to Jahn-Teller distortions. In the ferromagnetic phase, unexpected diagonal stripes at…
The dynamics of F=1 spinor condensates initially prepared in a double-well potential is studied in the mean field approach. It is shown that a small seed of $m=0$ atoms on a system with initially well separated m=1 and m=-1 condensates has…
We study the nature of the ground state of the frustrated J1-J2 model and the J1-J3 model using a variational algorithm based on projected entangled-pair states (PEPS). By investigating spin-spin correlation functions, we observe a…
We present a first-principles investigation of the electronic and optical properties of hybrid organic-inorganic interfaces consisting of MoS$_2$ monolayer and the $\pi$-conjugate molecules pyrene and pyridine. For both hybrid systems, the…
The sliding friction of a dimer moving over a periodic substrate and subjected to an external force is studied in the steady state for arbitrary temperatures within a one-dimensional model. Nonlinear phenomena that emerge include dynamic…
We study the classical version of the 120-degree model. This is an attractive nearest-neighbor system in three dimensions with XY (rotor) spins and interaction such that only a particular projection of the spins gets coupled in each…
We provide a variant model of strongly interacting massive particle (SIMP), where composite dark matter comes from a strongly interacting U(1) theory. We first explain a non-Abelian version of the model with an additional singlet field,…
Spin-orbit coupling has proven indispensable in realizing topological materials and more recently Ising pairing in two-dimensional superconductors. This pairing mechanism relies on inversion symmetry breaking and sustains anomalously large…
We examine magnon and orbiton behavior in localized O$_2$ anti-bonding molecular $\pi^*$ orbitals using an effective Kugel-Khomskii Hamiltonian derived from a two band Hubbard model with hopping parameters taken from {\em ab initio} density…
We present a compositional and structural investigation of silicene, germanene, and stanene bilayers from first-principles. Due to the staggering of the individual layers, several stacking patterns are possible, most of which are not…
The entanglement between spin-1/2 interstitial Heisenberg dimers in the mixed spin-(1,1/2) Ising-XXZ double sawtooth ladder is investigated at low temperature. Here, we consider a cyclic four-spin exchange interaction in square plaquette of…
Motivated by the experimental study of Tayebi et al. [Nature Mater. 11, 1074 (2012)] on phase separation of stacked multi-component lipid bilayers, we propose a model composed of stacked two-dimensional Ising spins. We study both its static…
We study a molecular dimer model that takes higher order interaction term as well as antisymmetric term into account. We mainly focus on the theoretical quantum properties that are of interest. We numerically diagonalize the system and…
A ferrimagnetic spin model composed of $S=1/2$ spin-dimers and $S=5/2$ spin-chains is studied by combining the bond-operator representation (for $S=1/2$ spin-dimers) and Holstein-Primakoff transformation (for $S=5/2$ spins). A finite…
Layered quasi two dimensional systems have garnered huge interest both in the advancement of technology and in understanding emergent physics such as unconventional superconductivity, topological phases. In particular, the study of…
In a recent contribution [Fishman, V.; Lesiuk, M.; Martin, J.M.L.; Boese, A.D., J. Chem. Theory Comput. 2025, 21, 2311-2324], we introduced another angle at benchmarking non-covalent interactions by not just benchmarking interaction…
We consider the ground states, excitations and dynamics of a quasi-two-dimensional binary dipolar Bose-Einstein condensate. Our focus is on the transition to a spin-stripe ground state in which the translational invariance is spontaneously…
We study the effect of spin-Peierls instability on the phase-diagram of a frustrated antiferromagnetic spin-1/2 ladder, with weak transverse and diagonal rung coupling. Our analysis focuses on a one-dimensional version of the model (i.e. a…