Structural, dynamical, and electronic properties of transition metal-doped Ge2Sb2Te5 phase-change materials simulated by ab initio molecular dynamics

J. M. Skelton; T. H. Lee; S. R. Elliott

doi:10.1063/1.4736577

Structural, dynamical, and electronic properties of transition metal-doped Ge2Sb2Te5 phase-change materials simulated by ab initio molecular dynamics

Applied Physics Letters ◽

10.1063/1.4736577 ◽

2012 ◽

Vol 101 (2) ◽

pp. 024106 ◽

Cited By ~ 14

Author(s):

J. M. Skelton ◽

T. H. Lee ◽

S. R. Elliott

Keyword(s):

Molecular Dynamics ◽

Transition Metal ◽

Phase Change ◽

Ab Initio ◽

Electronic Properties ◽

Phase Change Materials ◽

Ab Initio Molecular Dynamics ◽

Metal Doped

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Ab Initio Molecular-Dynamics Simulations of Doped Phase-Change Materials

Molecular Dynamics Simulations of Disordered Materials - Springer Series in Materials Science ◽

10.1007/978-3-319-15675-0_16 ◽

2015 ◽

pp. 441-456

Author(s):

J. M. Skelton ◽

T. H. Lee ◽

S. R. Elliott

Keyword(s):

Molecular Dynamics ◽

Phase Change ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Phase Change Materials ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Quantifying the Long‐Range Coupling of Electronic Properties in Proteins with ab initio Molecular Dynamics**

Chemistry–Methods ◽

10.1002/cmtd.202100012 ◽

2021 ◽

Author(s):

Zhongyue Yang ◽

Natalia Hajlasz ◽

Adam H. Steeves ◽

Heather J. Kulik

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Electronic Properties ◽

Long Range ◽

Ab Initio Molecular Dynamics

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Observing the spontaneous formation of a sub-critical nucleus in a phase-change amorphous material from ab initio molecular dynamics

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2021.106102 ◽

2021 ◽

Vol 136 ◽

pp. 106102

Author(s):

Wen-Xiong Song ◽

Fausto Martelli ◽

Zhitang Song

Keyword(s):

Molecular Dynamics ◽

Phase Change ◽

Ab Initio ◽

Critical Nucleus ◽

Amorphous Material ◽

Ab Initio Molecular Dynamics ◽

Spontaneous Formation

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Ab initio molecular dynamics study of the static, dynamic, and electronic properties of liquid mercury at room temperature

The Journal of Chemical Physics ◽

10.1063/1.3137582 ◽

2009 ◽

Vol 130 (19) ◽

pp. 194505 ◽

Cited By ~ 23

Author(s):

L. Calderín ◽

L. E. González ◽

D. J. González

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Electronic Properties ◽

Room Temperature ◽

Ab Initio Molecular Dynamics ◽

Liquid Mercury

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Ab Initio Molecular-Dynamics Simulation of Neuromorphic Computing in Phase-Change Memory Materials

ACS Applied Materials & Interfaces ◽

10.1021/acsami.5b01825 ◽

2015 ◽

Vol 7 (26) ◽

pp. 14223-14230 ◽

Cited By ~ 18

Author(s):

Jonathan M. Skelton ◽

Desmond Loke ◽

Taehoon Lee ◽

Stephen R. Elliott

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Phase Change ◽

Ab Initio ◽

Phase Change Memory ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

Neuromorphic Computing ◽

Change Memory

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An ab initio molecular dynamics study on the structural and electronic properties of AlB2, TiB2 and (Alx,Ti(1−x))B2 in Al–Ti–B master alloys

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2013.09.179 ◽

2014 ◽

Vol 585 ◽

pp. 529-534 ◽

Cited By ~ 8

Author(s):

H.L. Zhang ◽

Y.F. Han ◽

J. Wang ◽

Y.B. Dai ◽

B.D. Sun

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Electronic Properties ◽

Ab Initio Molecular Dynamics ◽

Master Alloys ◽

Structural And Electronic Properties

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Magnetic and electronic properties of 3d transition-metal-doped In 2 O 3 : An ab initio study

EPL (Europhysics Letters) ◽

10.1209/0295-5075/87/27013 ◽

2009 ◽

Vol 87 (2) ◽

pp. 27013 ◽

Cited By ~ 21

Author(s):

L. M. Huang ◽

C. Moysés Araújo ◽

R. Ahuja

Keyword(s):

Transition Metal ◽

Ab Initio ◽

Electronic Properties ◽

Ab Initio Study ◽

Metal Doped

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Catalytic Ability Comparison of Five Transition Metal Clusters (Zn, Cu, Fe, Ni, and Ru) for Heat‐Induced Graphene Etching by Ab Initio Molecular Dynamics Simulations

Advanced Theory and Simulations ◽

10.1002/adts.202100380 ◽

2021 ◽

pp. 2100380

Author(s):

Jie Bie ◽

Jinlan Wang ◽

Shuang Chen ◽

Wei Fa

Keyword(s):

Molecular Dynamics ◽

Transition Metal ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Metal Clusters ◽

Ab Initio Molecular Dynamics ◽

Transition Metal Clusters ◽

Dynamics Simulations

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Structural, dynamic, and electronic properties of liquid tin: An ab initio molecular dynamics study

The Journal of Chemical Physics ◽

10.1063/1.3020304 ◽

2008 ◽

Vol 129 (19) ◽

pp. 194506 ◽

Cited By ~ 27

Author(s):

L. Calderín ◽

D. J. González ◽

L. E. González ◽

J. M. López

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Electronic Properties ◽

Ab Initio Molecular Dynamics ◽

Structural Dynamic ◽

Liquid Tin

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Structural and electronic properties of aqueous NaCl solutions from ab initio molecular dynamics simulations with hybrid density functionals

Chemical Physics Letters ◽

10.1016/j.cplett.2014.04.037 ◽

2014 ◽

Vol 604 ◽

pp. 89-96 ◽

Cited By ~ 58

Author(s):

Alex P. Gaiduk ◽

Cui Zhang ◽

François Gygi ◽

Giulia Galli

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Electronic Properties ◽

Ab Initio Molecular Dynamics ◽

Density Functionals ◽

Structural And Electronic Properties ◽

Dynamics Simulations

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