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Molecular dynamics simulations of oxide memory resistors (memristors)

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 Added by Savel'ev Sergey
 Publication date 2010
  fields Physics
and research's language is English




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Reversible bipolar nano-switches that can be set and read electronically in a solid-state two-terminal device are very promising for applications. We have performed molecular-dynamics simulations that mimic systems with oxygen vacancies interacting via realistic potentials and driven by an external bias voltage. The competing short- and long-range interactions among charged mobile vacancies lead to density fluctuations and short-range ordering, while illustrating some aspects of observed experimental behavior, such as memristor polarity inversion.



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We have extended our recent molecular-dynamic simulations of memristors to include the effect of thermal inhomogeneities on mobile ionic species appearing during operation of the device. Simulations show a competition between an attractive short-ranged interaction between oxygen vacancies and an enhanced local temperature in creating/destroying the conducting oxygen channels. Such a competition would strongly affect the performance of the memristive devices.
We present molecular-dynamic simulations of memory resistors (memristors) including the crystal field effects on mobile ionic species such as oxygen vacancies appearing during operation of the device. Vacancy distributions show different patterns depending on the ratio of a spatial period of the crystal field to a characteristic radius of the vacancy-vacancy interaction. There are signatures of the orientational order and of spatial voids in the vacancy distributions for some crystal field potentials. The crystal field stabilizes the patterns after they are formed, resulting in a non-volatile switching of the simulated devices.
In this work, we evaluate a multitude of metal-oxide bi-layers and demonstrate the benefits from increased memory stability via multibit memory operation. We introduce a programming methodology that allows for operating metal-oxide memristive devices as multibit memory elements with highly packed yet clearly discernible memory states. We finally demonstrate a 5.5-bit memory cell (47 resistive states) with excellent retention and power consumption performance. This paves the way for neuromorphic and non-volatile memory applications.
We extend the notion of memristive systems to capacitive and inductive elements, namely capacitors and inductors whose properties depend on the state and history of the system. All these elements show pinched hysteretic loops in the two constitutive variables that define them: current-voltage for the memristor, charge-voltage for the memcapacitor, and current-flux for the meminductor. We argue that these devices are common at the nanoscale where the dynamical properties of electrons and ions are likely to depend on the history of the system, at least within certain time scales. These elements and their combination in circuits open up new functionalities in electronics and they are likely to find applications in neuromorphic devices to simulate learning, adaptive and spontaneous behavior.
Recent experiments have observed that the chemical and photophysical properties of molecules can be modified inside an optical Fabry-Perot microcavity under collective vibrational strong coupling (VSC) conditions, and such modification is currently not well understood by theory. In an effort to understand the origin of such cavity induced phenomena, some recent studies have focused on the effect of the cavity environment on the nonlinear optical response of the molecular subsystem. Here, we use a recently proposed protocol for classical cavity molecular dynamics (CavMD) simulations to numerically investigate the linear and nonlinear response of liquid carbon dioxide under such VSC conditions following an optical pulse excitation. We find that applying a strong pulse of excitation to the lower hybrid light-matter state, i.e., the lower polariton (LP), can lead to an overall molecular nonlinear absorption which is enhanced by up to two orders of magnitude relative to the excitation outside the cavity. This polariton-enhanced multiphoton absorption also causes an ultrashort LP lifetime (0.2 ps) under strong illumination. Unlike usual polariton relaxation processes -- whereby polaritonic energy transfers directly to the manifold of singly excited vibrational dark states -- under the present mechanism, the LP transfers energy directly to the manifold of higher vibrationally excited dark states; these highly excited dark states subsequently relax to the manifold of singly excited states with a lifetime of tens of ps. Because the present mechanism is generic in nature, we expect these numerical predictions to be experimentally observed in different molecular systems and in cavities with different volumes.
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