Simulation of Phase‐Change‐Memory and Thermoelectric Materials using Machine‐Learned Interatomic Potentials: Sb 2 Te 3

An overview of phase-change memory device physics

(2020) Manuel Le Gallo et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

The interplay between Peierls distortions and metavalent bonding in IV–VI compounds: comparing GeTe with related monochalcogenides

(2020) Jean-Yves Raty et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Quench-rate and size-dependent behaviour in glassy Ge2Sb2Te5 models simulated with a machine-learned Gaussian approximation potential

(2020) F C Mocanu et al.   JOURNAL OF PHYSICS D-APPLIED PHYSICS

Machine-learned interatomic potentials by active learning: amorphous and liquid hafnium dioxide

(2020) Ganesh Sivaraman et al.   npj Computational Materials

Machine learning interatomic potential developed for molecular simulations on thermal properties of β-Ga2O3

(2020) Yuan-Bin Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Enhancing thermoelectric performance of Sb2Te3 through swapped bilayer defects

(2020) Jiangjing Wang et al.   Nano Energy

Quantifying Chemical Structure and Machine-Learned Atomic Energies in Amorphous and Liquid Silicon

(2019) Noam Bernstein et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Identifying optimal dopants for Sb2Te3 phase-change material by high-throughput ab initio calculations with experiments

(2019) Shuwei Hu et al.   COMPUTATIONAL MATERIALS SCIENCE

Layer‐Switching Mechanisms in Sb 2 Te 3

(2019) Jiang-Jing Wang et al.   Physica Status Solidi-Rapid Research Letters

Revealing the intrinsic nature of the mid-gap defects in amorphous Ge2Sb2Te5

(2019) Konstantinos Konstantinou et al.   Nature Communications

Phase-change heterostructure enables ultralow noise and drift for memory operation

(2019) Keyuan Ding et al.   SCIENCE

Incorporating long-range physics in atomic-scale machine learning

(2019) Andrea Grisafi et al.   JOURNAL OF CHEMICAL PHYSICS

De novo exploration and self-guided learning of potential-energy surfaces

(2019) Noam Bernstein et al.   npj Computational Materials

Insight into the role of W in amorphous GeTe for phase-change memory

(2018) Linchuan Zhang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Comparison of permutationally invariant polynomials, neural networks, and Gaussian approximation potentials in representing water interactions through many-body expansions

(2018) Thuong T. Nguyen et al.   JOURNAL OF CHEMICAL PHYSICS

Structural signature and transition dynamics of Sb2Te3 melt upon fast cooling

(2018) Y. R. Guo et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Modeling the Phase-Change Memory Material, Ge2Sb2Te5, with a Machine-Learned Interatomic Potential

(2018) Felix C. Mocanu et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Thermoelectric properties of monolayer Sb2Te3

(2018) Bin Xu et al.   JOURNAL OF APPLIED PHYSICS

Lattice Thermal Conductivity Calculation of Sb2Te3 using Molecular Dynamics Simulations

(2018) Inki Jeong et al.   JOURNAL OF THE KOREAN PHYSICAL SOCIETY

Role of carbon-rings in polycrystalline GeSb2Te4 phase-change material

(2018) Guanjie Wang et al.   JOURNAL OF ALLOYS AND COMPOUNDS

Reduction of thermal conductivity in YxSb2–xTe3 for phase change memory

(2017) Zhen Li et al.   JOURNAL OF APPLIED PHYSICS

Reducing the stochasticity of crystal nucleation to enable subnanosecond memory writing

(2017) Feng Rao et al.   SCIENCE

Improving deformability of Sb 2 Te 3 layered material by dislocation climb at anti-phase boundary

(2017) Xiaoqian Fu et al.   SCRIPTA MATERIALIA

Phase-change materials for non-volatile memory devices: from technological challenges to materials science issues

(2017) Pierre Noé et al.   SEMICONDUCTOR SCIENCE AND TECHNOLOGY

Yttrium-Doped Sb2Te3: A Promising Material for Phase-Change Memory

(2016) Zhen Li et al.   ACS Applied Materials & Interfaces

Oxygen-doped Sb2Te3 for high-performance phase-change memory

(2015) You Yin et al.   APPLIED SURFACE SCIENCE

Gaussian approximation potentials: A brief tutorial introduction

(2015) Albert P. Bartók et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Characterization of Cr-doped Sb2Te3films and their application to phase-change memory

(2015) Qing Wang et al.   Physica Status Solidi-Rapid Research Letters

Accuracy and transferability of Gaussian approximation potential models for tungsten

(2014) Wojciech J. Szlachta et al.   PHYSICAL REVIEW B

One order of magnitude faster phase change at reduced power in Ti-Sb-Te

(2014) Min Zhu et al.   Nature Communications

Ab initio investigation of amorphous Sb2Te

(2013) Wei Zhang et al.   MONATSHEFTE FUR CHEMIE

On representing chemical environments

(2013) Albert P. Bartók et al.   PHYSICAL REVIEW B

Advantages of Zn1.25Sb2Te3 material for phase change memory

(2012) Guoxiang Wang et al.   MATERIALS LETTERS

Neural network interatomic potential for the phase change material GeTe

(2012) Gabriele C. Sosso et al.   PHYSICAL REVIEW B

Performance improvement of Sb2Te3 phase change material by Al doping

(2011) Cheng Peng et al.   APPLIED SURFACE SCIENCE

Instability of nitrogen doped Sb2Te3 for phase change memory application

(2011) Xuelai Li et al.   JOURNAL OF APPLIED PHYSICS

Experimental and theoretical study of silicon-doped Sb2Te3 thin films: Structure and phase stability

(2010) Xuelai Li et al.   APPLIED SURFACE SCIENCE

Auxiliary Density Matrix Methods for Hartree−Fock Exchange Calculations

(2010) Manuel Guidon et al.   Journal of Chemical Theory and Computation

First-principles study of liquid and amorphousSb2Te3

(2010) S. Caravati et al.   PHYSICAL REVIEW B

Ab initio study of Sb2SexTe3−x (x=0, 1, 2) phase change materials

(2010) Li Xuelai et al.   SOLID STATE SCIENCES

Robust Periodic Hartree−Fock Exchange for Large-Scale Simulations Using Gaussian Basis Sets

(2009) Manuel Guidon et al.   Journal of Chemical Theory and Computation

Optical properties of (GeTe, Sb2Te3) pseudobinary thin films studied with spectroscopic ellipsometry

(2008) Jun-Woo Park et al.   APPLIED PHYSICS LETTERS