Frustrated two dimensional quantum magnets

We overview physical effects of exchange frustration and quantum spin fluctuations in (quasi-) two dimensional (2D) quantum magnets ($S=1/2$) with square, rectangular and triangular structure. Our discussion is based on the $J_1$-$J_2$ type frustrated exchange model and its generalizations. These models are closely related and allow to tune between different phases, magnetically ordered as well as more exotic nonmagnetic quantum phases by changing only one or two control parameters. We survey ground state properties like magnetization, saturation fields, ordered moment and structure factor in the full phase diagram as obtained from numerical exact diagonalization computations and analytical linear spin wave theory. We also review finite temperature properties like susceptibility, specific heat and magnetocaloric effect using the finite temperature Lanczos method. This method is powerful to determine the exchange parameters and g-factors from experimental results. We focus mostly on the observable physical frustration effects in magnetic phases where plenty of quasi-2D material examples exist to identify the influence of quantum fluctuations on magnetism.Comment: 78 pages, 54 figure

WavePacket: A Matlab package for numerical quantum dynamics. II: Open quantum systems, optimal control, and model reduction

WavePacket is an open-source program package for numeric simulations in quantum dynamics. It can solve time-independent or time-dependent linear Schr\"odinger and Liouville-von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows, e.g., to simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semi-classical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry. Being highly versatile and offering visualization of quantum dynamics 'on the fly', WavePacket is well suited for teaching or research projects in atomic, molecular and optical physics as well as in physical or theoretical chemistry. Building on the previous Part I which dealt with closed quantum systems and discrete variable representations, the present Part II focuses on the dynamics of open quantum systems, with Lindblad operators modeling dissipation and dephasing. This part also describes the WavePacket function for optimal control of quantum dynamics, building on rapid monotonically convergent iteration methods. Furthermore, two different approaches to dimension reduction implemented in WavePacket are documented here. In the first one, a balancing transformation based on the concepts of controllability and observability Gramians is used to identify states that are neither well controllable nor well observable. Those states are either truncated or averaged out. In the other approach, the H2-error for a given reduced dimensionality is minimized by H2 optimal model reduction techniques, utilizing a bilinear iterative rational Krylov algorithm

WavePacket: A Matlab package for numerical quantum dynamics. I: Closed quantum systems and discrete variable representations

WavePacket is an open-source program package for the numerical simulation of quantum-mechanical dynamics. It can be used to solve time-independent or time-dependent linear Schr\"odinger and Liouville-von Neumann-equations in one or more dimensions. Also coupled equations can be treated, which allows to simulate molecular quantum dynamics beyond the Born-Oppenheimer approximation. Optionally accounting for the interaction with external electric fields within the semiclassical dipole approximation, WavePacket can be used to simulate experiments involving tailored light pulses in photo-induced physics or chemistry.The graphical capabilities allow visualization of quantum dynamics 'on the fly', including Wigner phase space representations. Being easy to use and highly versatile, WavePacket is well suited for the teaching of quantum mechanics as well as for research projects in atomic, molecular and optical physics or in physical or theoretical chemistry.The present Part I deals with the description of closed quantum systems in terms of Schr\"odinger equations. The emphasis is on discrete variable representations for spatial discretization as well as various techniques for temporal discretization.The upcoming Part II will focus on open quantum systems and dimension reduction; it also describes the codes for optimal control of quantum dynamics.The present work introduces the MATLAB version of WavePacket 5.2.1 which is hosted at the Sourceforge platform, where extensive Wiki-documentation as well as worked-out demonstration examples can be found

N\'eel temperature and reentrant H-T phase diagram of quasi-2D frustrated magnets

In quasi-2D quantum magnets the ratio of N\'eel temperature $T_\text N$ to Curie-Weiss temperature $\Theta_\text{CW}$ is frequently used as an empirical criterion to judge the strength of frustration. In this work we investigate how these quantities are related in the canonical quasi-2D frustrated square or triangular $J_1$-$J_2$ model. Using the self-consistent Tyablikov approach for calculating $T_\text N$ we show their dependence on the frustration control parameter $J_2/J_1$ in the whole N\'eel and columnar antiferromagnetic phase region. We also discuss approximate analytical results. In addition the field dependence of $T_\text N(H)$ and the associated possible reentrance behavior of the ordered moment due to quantum fluctuations is investigated. These results are directly applicable to a class of quasi-2D oxovanadate antiferromagnets. We give clear criteria to judge under which conditions the empirical frustration ratio $f=\Theta_\text{CW}/T_\text N$ may be used as measure of frustration strength in the quasi-2D quantum magnets.Comment: 16 pages, 14 figures, to appear in Physical Review

Supersymmetry and eigensurface topology of the planar quantum pendulum

We make use of supersymmetric quantum mechanics (SUSY QM) to find three sets of conditions under which the problem of a planar quantum pendulum becomes analytically solvable. The analytic forms of the pendulum's eigenfuntions make it possible to find analytic expressions for observables of interest, such as the expectation values of the angular momentum squared and of the orientation and alignment cosines as well as of the eigenenergy. Furthermore, we find that the topology of the intersections of the pendulum's eigenenergy surfaces can be characterized by a single integer index whose values correspond to the sets of conditions under which the analytic solutions to the quantum pendulum problem exist

Quantum fluctuations in anisotropic triangular lattices with ferro- and antiferromagnetic exchange

The Heisenberg model on a triangular lattice is a prime example for a geometrically frustrated spin system. However most experimentally accessible compounds have spatially anisotropic exchange interactions. As a function of this anisotropy, ground states with different magnetic properties can be realized. Motivated by recent experimental findings on Cs$_{2}$CuCl$_{4-x}$Br$_{x}$, we discuss the full phase diagram of the anisotropic model with two exchange constants $J_{1}$ and $J_{2}$, including possible ferromagnetic exchange. Furthermore a comparison with the related square lattice model is carried out. We discuss the zero-temperature phase diagram, ordering vector, ground-state energy, and ordered moment on a classical level and investigate the effect of quantum fluctuations within the framework of spin-wave theory. The field dependence of the ordered moment is shown to be nonmonotonic with field and control parameter.Comment: 13 pages, 14 figure

Supersymmetry and eigensurface topology of the spherical quantum pendulum

We undertook a mutually complementary analytic and computational study of the full-fledged spherical (3D) quantum rotor subject to combined orienting and aligning interactions characterized, respectively, by dimensionless parameters $\eta$ and $\zeta$. By making use of supersymmetric quantum mechanics (SUSY QM), we found two sets of conditions under which the problem of a spherical quantum pendulum becomes analytically solvable. These conditions coincide with the loci $\zeta=\frac{\eta^2}{4k^2}$ of the intersections of the eigenenergy surfaces spanned by the $\eta$ and $\zeta$ parameters. The integer topological index $k$ is independent of the eigenstate and thus of the projection quantum number $m$. These findings have repercussions for rotational spectra and dynamics of molecules subject to combined permanent and induced dipole interactions.Comment: arXiv admin note: text overlap with arXiv:1404.224

Thermodynamics of anisotropic triangular magnets with ferro- and antiferromagnetic exchange

We investigate thermodynamic properties like specific heat $c_{V}$ and susceptibility $\chi$ in anisotropic $J_1$-$J_2$ triangular quantum spin systems ($S=1/2$). As a universal tool we apply the finite temperature Lanczos method (FTLM) based on exact diagonalization of finite clusters with periodic boundary conditions. We use clusters up to $N=28$ sites where the thermodynamic limit behavior is already stably reproduced. As a reference we also present the full diagonalization of a small eight-site cluster. After introducing model and method we discuss our main results on $c_V(T)$ and $\chi(T)$. We show the variation of peak position and peak height of these quantities as function of control parameter $J_2/J_1$. We demonstrate that maximum peak positions and heights in N\'eel phase and spiral phases are strongly asymmetric, much more than in the square lattice $J_1$-$J_2$ model. Our results also suggest a tendency to a second side maximum or shoulder formation at lower temperature for certain ranges of the control parameter. We finally explicitly determine the exchange model of the prominent triangular magnets Cs$_2$CuCl$_4$ and Cs$_{2}$CuBr$_{4}$ from our FTLM results.Comment: 13 pages, 12 figure

Thermodynamics of anisotropic triangular magnets with ferro- and antiferromagnetic exchange

We investigate thermodynamic properties like specific heat $c_{V}$ and susceptibility $\chi$ in anisotropic $J_1$-$J_2$ triangular quantum spin systems ($S=1/2$). As a universal tool we apply the finite temperature Lanczos method (FTLM) based on exact diagonalization of finite clusters with periodic boundary conditions. We use clusters up to $N=28$ sites where the thermodynamic limit behavior is already stably reproduced. As a reference we also present the full diagonalization of a small eight-site cluster. After introducing model and method we discuss our main results on $c_V(T)$ and $\chi(T)$. We show the variation of peak position and peak height of these quantities as function of control parameter $J_2/J_1$. We demonstrate that maximum peak positions and heights in N\'eel phase and spiral phases are strongly asymmetric, much more than in the square lattice $J_1$-$J_2$ model. Our results also suggest a tendency to a second side maximum or shoulder formation at lower temperature for certain ranges of the control parameter. We finally explicitly determine the exchange model of the prominent triangular magnets Cs$_2$CuCl$_4$ and Cs$_{2}$CuBr$_{4}$ from our FTLM results.Comment: 13 pages, 12 figure

Topology of surfaces for molecular Stark energy, alignment and orientation generated by combined permanent and induced electric dipole interactions

We show that combined permanent and induced electric dipole interactions of polar and polarizable molecules with collinear electric fields lead to a sui generis topology of the corresponding Stark energy surfaces and of other observables - such as alignment and orientation cosines - in the plane spanned by the permanent and induced dipole interaction parameters. We find that the loci of the intersections of the surfaces can be traced analytically and that the eigenstates as well as the number of their intersections can be characterized by a single integer index. The value of the index, distinctive for a particular ratio of the interaction parameters, brings out a close kinship with the eigenproperties obtained previously for a class of Stark states via the apparatus of supersymmetric quantum mechanics.Comment: 22 pages, including 2 tables and 8 figure