First principle study of molecular quantum dot cellular automata using mixed valence compounds

T. Purkayastha; Debashis De; B. Das; T. Chattapadhyay

doi:10.1109/ICDCSyst.2016.7570601

First principle study of molecular quantum dot cellular automata using mixed valence compounds

T. Purkayastha, Debashis De, B. Das, T. Chattapadhyay

Research output: Chapter in Book/Conference paper › Conference paper › peer-review

1 Citation (Web of Science)

Abstract

© 2016 IEEE.Quantum dot Cellular Automata (QCA) is one of the major paradigm shifts in the field of nanoscale computing. Among various QCA alternatives, molecular QCA claims to have extremely high device density along with room temperature fabrication advantage. In a molecular QCA the quantum dots are formed within the redox centers of a molecule and columbic interaction between the molecules form the QCA network. In the proposed work a molecular four-dot QCA cell has been designed using a mixed-valence compound. A c/oso-hexaborate structure has been utilized to form the central molecule along with the four corner molecules responsible for forming the four dots. The corner molecules are observed to have a resonating characteristic. The counterion effect of the proposed mixed-valence compound is responsible for the formation of the QCA cell. The counterion effect is verified using combined DFT and NEGF studies revealing the charge localization at the two diagonal dots, which is the fundamental property of a QCA cell.

Original language	English
Title of host publication	Proceedings of the 3rd International Conference on Devices, Circuits and Systems
Editors	V Rao, C Sarkar, D Nirmal, M Kumar
Publisher	IEEE, Institute of Electrical and Electronics Engineers
Pages	244-248
Number of pages	5
ISBN (Electronic)	9781509023097
ISBN (Print)	9781509023097
DOIs	https://doi.org/10.1109/ICDCSyst.2016.7570601
Publication status	Published - 16 Sep 2016
Event	2016 3rd International Conference on Devices, Circuits and Systems - Coimbatore, India Duration: 3 Mar 2016 → 5 Mar 2016

Conference

Conference	2016 3rd International Conference on Devices, Circuits and Systems
Country/Territory	India
City	Coimbatore
Period	3/03/16 → 5/03/16

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10.1109/ICDCSyst.2016.7570601

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Purkayastha, T., De, D., Das, B., & Chattapadhyay, T. (2016). First principle study of molecular quantum dot cellular automata using mixed valence compounds. In V. Rao, C. Sarkar, D. Nirmal, & M. Kumar (Eds.), Proceedings of the 3rd International Conference on Devices, Circuits and Systems (pp. 244-248). [7570601] IEEE, Institute of Electrical and Electronics Engineers. https://doi.org/10.1109/ICDCSyst.2016.7570601

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title = "First principle study of molecular quantum dot cellular automata using mixed valence compounds",

abstract = "{\textcopyright} 2016 IEEE.Quantum dot Cellular Automata (QCA) is one of the major paradigm shifts in the field of nanoscale computing. Among various QCA alternatives, molecular QCA claims to have extremely high device density along with room temperature fabrication advantage. In a molecular QCA the quantum dots are formed within the redox centers of a molecule and columbic interaction between the molecules form the QCA network. In the proposed work a molecular four-dot QCA cell has been designed using a mixed-valence compound. A c/oso-hexaborate structure has been utilized to form the central molecule along with the four corner molecules responsible for forming the four dots. The corner molecules are observed to have a resonating characteristic. The counterion effect of the proposed mixed-valence compound is responsible for the formation of the QCA cell. The counterion effect is verified using combined DFT and NEGF studies revealing the charge localization at the two diagonal dots, which is the fundamental property of a QCA cell.",

author = "T. Purkayastha and Debashis De and B. Das and T. Chattapadhyay",

year = "2016",

month = sep,

day = "16",

doi = "10.1109/ICDCSyst.2016.7570601",

language = "English",

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editor = "V Rao and C Sarkar and D Nirmal and M Kumar",

booktitle = "Proceedings of the 3rd International Conference on Devices, Circuits and Systems",

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address = "United States",

note = "2016 3rd International Conference on Devices, Circuits and Systems ; Conference date: 03-03-2016 Through 05-03-2016",

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Purkayastha, T, De, D, Das, B & Chattapadhyay, T 2016, First principle study of molecular quantum dot cellular automata using mixed valence compounds. in V Rao, C Sarkar, D Nirmal & M Kumar (eds), Proceedings of the 3rd International Conference on Devices, Circuits and Systems., 7570601, IEEE, Institute of Electrical and Electronics Engineers, pp. 244-248, 2016 3rd International Conference on Devices, Circuits and Systems, Coimbatore, India, 3/03/16. https://doi.org/10.1109/ICDCSyst.2016.7570601

First principle study of molecular quantum dot cellular automata using mixed valence compounds. / Purkayastha, T.; De, Debashis; Das, B. et al.

Proceedings of the 3rd International Conference on Devices, Circuits and Systems. ed. / V Rao; C Sarkar; D Nirmal; M Kumar. IEEE, Institute of Electrical and Electronics Engineers, 2016. p. 244-248 7570601.

Research output: Chapter in Book/Conference paper › Conference paper › peer-review

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N2 - © 2016 IEEE.Quantum dot Cellular Automata (QCA) is one of the major paradigm shifts in the field of nanoscale computing. Among various QCA alternatives, molecular QCA claims to have extremely high device density along with room temperature fabrication advantage. In a molecular QCA the quantum dots are formed within the redox centers of a molecule and columbic interaction between the molecules form the QCA network. In the proposed work a molecular four-dot QCA cell has been designed using a mixed-valence compound. A c/oso-hexaborate structure has been utilized to form the central molecule along with the four corner molecules responsible for forming the four dots. The corner molecules are observed to have a resonating characteristic. The counterion effect of the proposed mixed-valence compound is responsible for the formation of the QCA cell. The counterion effect is verified using combined DFT and NEGF studies revealing the charge localization at the two diagonal dots, which is the fundamental property of a QCA cell.

AB - © 2016 IEEE.Quantum dot Cellular Automata (QCA) is one of the major paradigm shifts in the field of nanoscale computing. Among various QCA alternatives, molecular QCA claims to have extremely high device density along with room temperature fabrication advantage. In a molecular QCA the quantum dots are formed within the redox centers of a molecule and columbic interaction between the molecules form the QCA network. In the proposed work a molecular four-dot QCA cell has been designed using a mixed-valence compound. A c/oso-hexaborate structure has been utilized to form the central molecule along with the four corner molecules responsible for forming the four dots. The corner molecules are observed to have a resonating characteristic. The counterion effect of the proposed mixed-valence compound is responsible for the formation of the QCA cell. The counterion effect is verified using combined DFT and NEGF studies revealing the charge localization at the two diagonal dots, which is the fundamental property of a QCA cell.

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PB - IEEE, Institute of Electrical and Electronics Engineers

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Purkayastha T, De D, Das B, Chattapadhyay T. First principle study of molecular quantum dot cellular automata using mixed valence compounds. In Rao V, Sarkar C, Nirmal D, Kumar M, editors, Proceedings of the 3rd International Conference on Devices, Circuits and Systems. IEEE, Institute of Electrical and Electronics Engineers. 2016. p. 244-248. 7570601 https://doi.org/10.1109/ICDCSyst.2016.7570601

First principle study of molecular quantum dot cellular automata using mixed valence compounds

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