Inverse Statistical Mechanics: Probing the Limitations of Isotropic Pair Potentials to Produce Ground-State Structural Extremes

Inverse statistical-mechanical methods have recently been employed to design optimized short-ranged radial (isotropic) pair potentials that robustly produce novel targeted classical ground-state many-particle configurations. The target structures considered in those studies were low-coordinated crystals with a high degree of symmetry. In this paper, we further test the fundamental limitations of radial pair potentials by targeting crystal structures with appreciably less symmetry, including those in which the particles have different local structural environments. These challenging target configurations demanded that we modify previous inverse optimization techniques. Using this modified optimization technique, we have designed short-ranged radial pair potentials that stabilize the two-dimensional kagome crystal, the rectangular kagome crystal, and rectangular lattices, as well as the three-dimensional structure of CaF$_2$ crystal inhabited by a single particle species. We verify our results by cooling liquid configurations to absolute zero temperature via simulated annealing and ensuring that such states have stable phonon spectra. Except for the rectangular kagome structure, all of the target structures can be stabilized with monotonic repulsive potentials. Our work demonstrates that single-component systems with short-ranged radial pair potentials can counterintuitively self-assemble into crystal ground states with low symmetry and different local structural environments. Finally, we present general principles that offer guidance in determining whether certain target structures can be achieved as ground states by radial pair potentials

Classical many-particle systems with unique disordered ground states

Classical ground states (global energy-minimizing configurations) of many-particle systems are typically unique crystalline structures, implying zero enumeration entropy of distinct patterns (aside from trivial symmetry operations). By contrast, the few previously known disordered classical ground states of many-particle systems are all high-entropy (highly degenerate) states. Here we show computationally that our recently-proposed "perfect-glass" many-particle model [Sci. Rep., 6, 36963 (2016)] possesses disordered classical ground states with a zero entropy: a highly counterintuitive situation. For all of the system sizes, parameters, and space dimensions that we have numerically investigated, the disordered ground states are unique such that they can always be superposed onto each other or their mirror image. At low energies, the density of states obtained from simulations matches those calculated from the harmonic approximation near a single ground state, further confirming ground-state uniqueness. Our discovery provides singular examples in which entropy and disorder are at odds with one another. The zero-entropy ground states provide a unique perspective on the celebrated Kauzmann-entropy crisis in which the extrapolated entropy of a supercooled liquid drops below that of the crystal. We expect that our disordered unique patterns to be of value in fields beyond glass physics, including applications in cryptography as pseudo-random functions with tunable computational complexity

Transport, Geometrical and Topological Properties of Stealthy Disordered Hyperuniform Two-Phase Systems

Disordered hyperuniform many-particle systems have attracted considerable recent attention. One important class of such systems is the classical ground states of "stealthy potentials." The degree of order of such ground states depends on a tuning parameter. Previous studies have shown that these ground-state point configurations can be counterintuitively disordered, infinitely degenerate, and endowed with novel physical properties (e.g., negative thermal expansion behavior). In this paper, we focus on the disordered regime in which there is no long-range order, and control the degree of short-range order. We map these stealthy disordered hyperuniform point configurations to two-phase media by circumscribing each point with a possibly overlapping sphere of a common radius $a$: the "particle" and "void" phases are taken to be the space interior and exterior to the spheres, respectively. We study certain transport properties of these systems, including the effective diffusion coefficient of point particles diffusing in the void phase as well as static and time-dependent characteristics associated with diffusion-controlled reactions. Besides these effective transport properties, we also investigate several related structural properties, including pore-size functions, quantizer error, an order metric, and percolation threshold. We show that these transport, geometrical and topological properties of our two-phase media derived from decorated stealthy ground states are distinctly different from those of equilibrium hard-sphere systems and spatially uncorrelated overlapping spheres

Spin Dynamics in the Second Subband of a Quasi Two Dimensional System Studied in a Single Barrier Heterostructure by Time Resolved Kerr Rotation

By biasing a single barrier heterostructure with a 500nm-thick GaAs layer as the absorption layer, the spin dynamics for both of the first and second subband near the AlAs barrier are examined. We find that when simultaneously scanning the photon energy of both the probe and pump beams, a sign reversal of the Kerr rotation (KR) takes place as long as the probe photons break away the first subband and probe the second subband. This novel feature, while stemming from the exchange interaction, has been used to unambiguously distinguish the different spin dynamics ($T_2^{1*}$ and $T_2^{2*}$) for the first and second subbands under the different conditions by their KR signs (negative for $1^{st}$ and positive for $2^{nd}$). In the zero magnetic field, by scanning the wavelength towards the short wavelength, $T_2^{1*}$ decreases in accordance with the D'yakonov-Perel' (DP) spin decoherence mechanism. At 803nm, $T_2^{2*}$(450ps) becomes ten times longer than $T_2^{1*}$(50ps). However, the value of $T_2^{2*}$ at 803nm is roughly the same as the value of $T_2^{1*}$ at 815nm. A new feature has been disclosed at the wavelength of 811nm under the bias of -0.3V (807nm under the bias of -0.6V) that the spin coherence times ($T_2^{1*}$ and $T_2^{2*}$) and the effective $g^*$ factors ($|g^*(E1)|$ and $|g^*(E2)|$) all display a sudden change, due to the "resonant" spin exchange coupling between two spin opposite bands.Comment: 9pages, 3 figure