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Current portable memory device relies heavily on flash memory technology for its implementation. New generation of non-volatile memory is likely to replace floating gates, charge-trapping memory currently still suffering from inadequate…
Phase change materials are exploited in non-volatile electronic memories and photonic devices that rely on a fast and reversible transformation between the amorphous and crystalline phase upon heating. The recrystallization of the amorphous…
Highly textured chalcogenide films have recently gained significant interest for phase-change memory applications. Several reports have highlighted that programming efficiency improves in devices featuring superlattice stacks, such as…
Using density-functional molecular dynamics simulations we analyzed the cooling-rate effects on the physical properties of GeS$_2$ chalcogenide glasses. Liquid samples were cooled linearly in time according to $T(t) = T_0 - \gamma t$ where…
Neural processing on devices and circuits is fast becoming a popular approach to emulate biological neural networks. Elaborate CMOS and memristive technologies have been employed to achieve this, including chalcogenide-based in-memory…
As modern computing gets continuously pushed up against the von Neumann Bottleneck -- limiting the ultimate speeds for data transfer and computation -- new computing methods are needed in order to bypass this issue and keep our computer's…
We report new insights into the electronic, structural, and transport (heat and charge) properties of the phase-change memory material Ge2Sb2Te5. Using realistic structural models of Konstantinou et. al. [Nat. Commun. 10, 3065 (2019)], we…
Phase change materials are exploited in several enabling technologies such as storage class memories, neuromorphic devices and memories embedded in microcontrollers. A key functional property for these applications is the fast crystal…
We carry out simulations of laser plasmas generated during UV nanosecond pulsed laser ablation of the chalcogens selenium (Se) and tellurium (Te), and compare the results to experiments. We take advantage of a 2D-axisymmetric, adaptive…
Germanium antimony telluride has been the most used and studied phase-change material for electronic memory due to its suitable crystallization temperature, amorphous to crystalline resistance contrast, and stability of the amorphous phase.…
Charge-trap memory with high-\k dielectric materials is considered to be a promising candidate for next-generation memory devices. Ultrathin layered two-dimensional (2D) materials like graphene and MoS2 have been receiving much attention…
The application of amorphous chalcogenide alloys as data-storage media relies on their ability to undergo an extremely fast (10-100 ns) crystallisation once heated at sufficiently high temperature. However, the peculiar features that make…
A self-consistent model for the simulation of Ge-rich Ge$_2$Sb$_2$Te$_5$ phase change memories is presented. Combining the multi-phase field model and a phase-aware electro-thermal solver, it reproduces the multi-physics behavior of the…
Atomically thin layered two-dimensional materials, including transition-metal dichacolgenide (TMDC) and black phosphorus (BP), (1) have been receiving much attention, because of their promising physical properties and potential applications…
Sulfide-based glasses and glass-ceramics showing high ionic conductivities and excellent mechanical properties are considered as promising solid-state electrolytes. Nowadays, the computational material techniques with the advantage of low…
This work proposes a new efficient approach for calculating the bending stiffness of two-dimensional materials using simple atomistic tests on small periodic unit cells. The tests are designed such that bending deformations are dominating…
The physics of glasses can be studied from many viewpoints, from material scientists interested in the development of new materials to statistical physicists inventing new theoretical tools to deal with disordered systems. In these lectures…
Phase-change materials based on Ge-Sb-Te alloys are widely used in industrial applications such as nonvolatile memories, but reaction pathways for crystalline-to-amorphous phase-change on picosecond timescales remain unknown. Femtosecond…
An ideal atomistic model of a disordered material should contradict no experiments,and should also be consistent with accurate force fields (either {\it ab initio}or empirical). We make significant progress toward jointly satisfying {\it…
A GPU-accelerated version of the lattice Boltzmann method for efficient simulation of soft materials is introduced. Unlike standard approaches, this method reconstructs the distribution functions from available hydrodynamic variables…