Quantum phase transitions in skewed ladder systems

S Das, D Dey, R Raghunathan, ZG Soos… - Physical Chemistry …, 2024 - pubs.rsc.org
In this brief review, we introduce a new spin ladder system called skewed spin ladders and
discuss the exotic quantum phases of this system. The spin ladders studied are the 5/7, 3/4 …

Can model Hamiltonians describe the electron–electron interaction in π-conjugated systems?: PAH and graphene

G Chiappe, E Louis, E San-Fabián… - Journal of Physics …, 2015 - iopscience.iop.org
Abstract Model Hamiltonians have been, and still are, a valuable tool for investigating the
electronic structure of systems for which mean field theories work poorly. This review will …

Effective Model Reduction Scheme for the Electronic Structure of Highly Doped Semiconducting Polymers

S Prodhan, A Troisi - Journal of chemical theory and computation, 2024 - ACS Publications
Highly doped organic polymers have emerged as prominent candidates within novel
technological disciplines, yet the fundamental correlation between structure and charge …

Third-order nonlinear optical properties of asymmetric non-alternant open-shell condensed-ring hydrocarbons: effects of diradical character, asymmetricity, and …

M Nakano, K Fukuda… - The Journal of Physical …, 2016 - ACS Publications
Using spin-unrestricted density functional theory, the longitudinal static second
hyperpolarizability γ has been investigated for an asymmetric azulene-like open-shell …

Charge-transfer magnetoelectrics of polymeric multiferroics

W Qin, D Jasion, X Chen, M Wuttig, S Ren - ACS nano, 2014 - ACS Publications
The renaissance of multiferroics has yielded a deeper understanding of magneto-electric
coupling of inorganic single-phase multiferroics and composites. Here, we report charge …

In the quest for a stable triplet state in small polyaromatic hydrocarbons: an in silico tool for rational design and prediction

M Rano, SK Ghosh, D Ghosh - Chemical science, 2019 - pubs.rsc.org
Combining the roles of spin frustration and geometry of odd and even numbered rings in
polyaromatic hydrocarbons (PAHs), we design small molecules that show exceedingly small …

Quantum phases of frustrated two-leg spin- ladders with skewed rungs

G Giri, D Dey, M Kumar, S Ramasesha, ZG Soos - Physical Review B, 2017 - APS
The quantum phases of two-leg spin-1 2 ladders with skewed rungs are obtained using
exact diagonalization of systems with up to 26 spins and by density-matrix renormalization …

Covalent triazine frameworks and porous carbons: Perspective from an azulene‐based case

K Jiang, P Peng, D Tranca, G Tong… - Macromolecular …, 2022 - Wiley Online Library
Covalent triazine frameworks (CTFs) are among the most valuable frameworks owing to
many fantastic properties. However, molten salt‐involved preparation of CTFs at 400–600° …

Magnetization plateaus of spin- system on a skewed ladder

D Dey, S Das, M Kumar, S Ramasesha - Physical Review B, 2020 - APS
Magnetization plateaus are some of the most striking manifestations of frustration in low-
dimensional spin systems. We present numerical studies of magnetization plateaus in the …

Coexistence of spontaneous dimerization and magnetic order in a transverse-field Ising ladder with four-spin interactions

JC Xavier, RG Pereira, MES Nunes, JA Plascak - Physical Review B, 2022 - APS
The spin-1/2 transverse field two-leg Ising ladder with nearest-neighbor exchange and
plaquette four-spin interaction J 4 is studied analytically and numerically with the density …