Mixed-valence molecular four-dot unit for quantum cellular automata: Vibronic self-trapping and cell-cell response

2015 ◽  
Vol 143 (13) ◽  
pp. 134307 ◽  
Author(s):  
Boris Tsukerblat ◽  
Andrew Palii ◽  
Juan Modesto Clemente-Juan ◽  
Eugenio Coronado
Keyword(s):  
Cellular Automata ◽  
Cell Response ◽  
Mixed Valence ◽  
Quantum Cellular Automata ◽  
Self Trapping ◽  
Cell Cell

Self-trapping of charge polarized states in four-dot molecular quantum cellular automata: bi-electronic tetrameric mixed-valence species

2015 ◽  
Vol 87 (3) ◽  
pp. 271-282 ◽  
Author(s):  
Boris Tsukerblat ◽  
Andrew Palii ◽  
Juan Modesto Clemente-Juan
Keyword(s):  
Cellular Automata ◽  
Mixed Valence ◽  
Coulomb Repulsion ◽  
Triplet States ◽  
Quantum Cellular Automata ◽  
Spin Singlet ◽  
Self Trapping ◽  
Binary Information ◽  
Spin Triplet ◽  
Electron Transfer Processes

AbstractOur interest in this article is prompted by the problem of the vibronic self-trapping of charge polarized states in the four-dot molecular quantum cellular automata (mQCA), a paradigm for nanoelectronics, in which binary information is encoded in charge configuration of the mQCA cell. We report the evaluation of the electronic states and the adiabatic potentials of mixed-valence (MV) systems in which two electrons (or holes) are shared among four sites. These systems are exemplified by the two kinds of tetra–ruthenium (2Ru(II)+ 2Ru(III)) clusters (assembled as two coupled Creutz–Taube dimers) for which molecular implementation of mQCA was proposed. The tetra–ruthenium clusters include two holes shared among four sites and correspondingly we employ the model which takes into account the electron transfer processes as well as the Coulomb repulsion in the different instant positions of localization. The vibronic self-trapping is considered within the conventional vibronic Piepho, Krausz and Schatz (PKS) model adapted to the bi-electronic MV species with the square topology. This leads to a complicated vibronic problems (21A1g + 1B1g + 1B2g + 1Eu) ⊗ (b1g + eu) and (3A2g + 3B1g + 23Eu) ⊗ (b1g + eu) for spin-singlet and spin-triplet states correspondingly. The adiabatic potentials are evaluated with account for the low lying Coulomb levels in which the antipodal sites are occupied, the case just actual for utilization in mQCA. The conditions for the vibronic localization in spin-singlet and spin-triplet states are revealed in terms of the two actual transfer pathways parameters and strength of the vibronic coupling.

Insight into the Spin‐Vibronic Problem of a Mixed Valence Magnetic Molecular Cell for Quantum Cellular Automata

ChemPhysChem ◽  
2021 ◽  
Author(s):  
Andrew Palii ◽  
Denis Korchagin ◽  
Sergey Aldoshin ◽  
J. M. Clemente-Juan ◽  
Shmuel Zilberg ◽  
...  
Keyword(s):  
Cellular Automata ◽  
Mixed Valence ◽  
Quantum Cellular Automata ◽  
Insight Into

Towards design of molecular cells for quantum cellular automata: critical reconsideration of the parameters regime for achieving functionality

2021 ◽  
Author(s):  
Andrei Palii ◽  
Sergey M. Aldoshin ◽  
Boris Tsukerblat
Keyword(s):  
Cellular Automata ◽  
Mixed Valence ◽  
Critical Discussion ◽  
Quantum Cellular Automata ◽  
Square Planar

In this article we present a critical discussion of the parametric regimes required for reaching functionality of the two-electron square-planar tetrameric mixed valence (MV) complexes as molecular cells in quantum...

Zwitterionic Mixed Valence: Internalizing Counteranions into a Biferrocenium Framework toward Molecular Expression of Half‐Cells in Quantum Cellular Automata

2019 ◽  
Vol 25 (60) ◽  
pp. 13728-13738 ◽  
Author(s):  
Keishiro Tahara ◽  
Nazuna Terashita ◽  
Ken Tokunaga ◽  
Shiomi Yabumoto ◽  
Jun‐ichi Kikuchi ◽  
...  
Keyword(s):  
Cellular Automata ◽  
Mixed Valence ◽  
Quantum Cellular Automata ◽  
Molecular Expression

A mixed-valence (FeII)2(FeIII)2 square for molecular expression of quantum cellular automata

2008 ◽  
pp. 5725 ◽  
Author(s):  
Yonggang Zhao ◽  
Dong Guo ◽  
Yang Liu ◽  
Cheng He ◽  
Chunying Duan
Keyword(s):  
Cellular Automata ◽  
Mixed Valence ◽  
Quantum Cellular Automata ◽  
Molecular Expression

Mixed-Valence Magnetic Molecular Cell for Quantum Cellular Automata: Prospects of Designing Multifunctional Devices through Exploration of Double Exchange

2020 ◽  
Vol 124 (46) ◽  
pp. 25602-25614
Author(s):  
Andrew Palii ◽  
Juan Modesto Clemente-Juan ◽  
Sergey Aldoshin ◽  
Denis Korchagin ◽  
Andrey Rybakov ◽  
...  
Keyword(s):  
Cellular Automata ◽  
Mixed Valence ◽  
Double Exchange ◽  
Quantum Cellular Automata ◽  
Multifunctional Devices

A parametric two-mode vibronic model of a dimeric mixed-valence cell for molecular quantum cellular automata and computational ab initio verification

2020 ◽  
Vol 22 (44) ◽  
pp. 25982-25999
Author(s):  
Andrew Palii ◽  
Sergey Aldoshin ◽  
Shmuel Zilberg ◽  
Boris Tsukerblat
Keyword(s):  
Cellular Automata ◽  
Ab Initio ◽  
Mixed Valence ◽  
Cation Radical ◽  
Quantum Cellular Automata ◽  
Parametric Approach

Here we propose a two-mode vibronic model of a molecular cell for quantum cellular automata. The interconnection between the parametric approach and ab initio evaluations for the cation-radical of tetramethyleneethane molecule is established.

scholarly journals An Alternative Geometry for Quantum Cellular Automata

VLSI Design ◽  
1998 ◽  
Vol 8 (1-4) ◽  
pp. 549-553 ◽  
Author(s):  
Paul G. Krause ◽  
Rachel M. Mueller ◽  
P. Douglas Tougaw ◽  
Janelle M. Weidner
Keyword(s):  
Cellular Automata ◽  
Excitation Energy ◽  
Response Function ◽  
Cell Response ◽  
Logic Gate ◽  
Three Dimensional ◽  
Quantum Cellular Automata ◽  
Single Plane ◽  
Majority Logic ◽  
Layout Geometry

We examine an alternative layout geometry for the quantum cellular automata (QCA) architecture. In the traditional QCA geometry, all of the cells are placed in a single plane, so that each cell interacts with a particular neighbor only along one of its edges. By rotating the cells out of the plane, we make it possible for neighbors to interact along all four edges at once. This increased interaction leads to a more bistable cell-cell response function and a 50% higher excitation energy. We also present a majority logic gate designed using three-dimensional cells.

Toward multifunctional molecular cells for quantum cellular automata: exploitation of interconnected charge and spin degrees of freedom

2021 ◽  
Author(s):  
Andrei Palii ◽  
Juan Modesto Clemente Juan ◽  
Andrey Rybakov ◽  
Sergey M. Aldoshin ◽  
Boris Tsukerblat
Keyword(s):  
Cellular Automata ◽  
Metal Ions ◽  
Degrees Of Freedom ◽  
Mixed Valence ◽  
Quantum Cellular Automata ◽  
Paramagnetic Metal

We discuss a possibility to use mixed-valence (MV) dimers comprising paramagnetic metal ions as molecular cells for quantum cellular automata (QCA). Thus, we propose to combine the underlying idea behind...

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