Ab initio method study of ionic conductor CaF2

Nahed Osman; Nodar Osman; Alwaleed Adllan; Gamar Alanbia Bilal; Karlo Ayuel

doi:10.1109/ICCEEE.2013.6633978

Ab initio method study of ionic conductor CaF₂

Nahed Osman
, Nodar Osman
, Alwaleed Adllan
, Gamar Alanbia Bilal
, Karlo Ayuel

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

2 Scopus citations

Abstract

CaF₂, fluorite, is a prime candidate for solid state electrolytes used in batteries could replaced of SiO₂ in metal-oxide semiconductor (MOS) technology. Using Ab initio density functional theory (DFT) method corrected by plane augmented waves (PAW) and ultra soft pseudopotential, the structural, electronic, lattice constant, band gab, density of states in addition to thermal and optical properties have been investigated. The results have a good agreement with the experimental data.

Original language	English
Title of host publication	Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering
Subtitle of host publication	'Research Makes a Difference', ICCEEE 2013
Publisher	IEEE Computer Society
Pages	437-440
Number of pages	4
ISBN (Print)	9781467362313
DOIs	https://doi.org/10.1109/ICCEEE.2013.6633978
State	Published - 1 Jan 2013
Externally published	Yes
Event	2013 1st IEEE International Conference on Computing, Electrical and Electronics Engineering, ICCEEE 2013 - Khartoum, Sudan Duration: 26 Aug 2013 → 28 Aug 2013

Publication series

Name	Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering: 'Research Makes a Difference', ICCEEE 2013

Conference

Conference	2013 1st IEEE International Conference on Computing, Electrical and Electronics Engineering, ICCEEE 2013
Country/Territory	Sudan
City	Khartoum
Period	26/08/13 → 28/08/13

Keywords

Abinitio
DFT
lattice constant
optical property
thermal property

Access to Document

10.1109/ICCEEE.2013.6633978

Cite this

Osman, N., Osman, N., Adllan, A., Bilal, G. A., & Ayuel, K. (2013). Ab initio method study of ionic conductor CaF₂ In Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering: 'Research Makes a Difference', ICCEEE 2013 (pp. 437-440). Article 6633978 (Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering: 'Research Makes a Difference', ICCEEE 2013). IEEE Computer Society. https://doi.org/10.1109/ICCEEE.2013.6633978

Osman, Nahed ; Osman, Nodar ; Adllan, Alwaleed et al. / Ab initio method study of ionic conductor CaF₂ Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering: 'Research Makes a Difference', ICCEEE 2013. IEEE Computer Society, 2013. pp. 437-440 (Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering: 'Research Makes a Difference', ICCEEE 2013).

@inproceedings{7fdfe192c0844ec3bbec688c57d05345,

title = "Ab initio method study of ionic conductor CaF2 ",

abstract = "CaF2, fluorite, is a prime candidate for solid state electrolytes used in batteries could replaced of SiO2 in metal-oxide semiconductor (MOS) technology. Using Ab initio density functional theory (DFT) method corrected by plane augmented waves (PAW) and ultra soft pseudopotential, the structural, electronic, lattice constant, band gab, density of states in addition to thermal and optical properties have been investigated. The results have a good agreement with the experimental data.",

keywords = "Abinitio, DFT, lattice constant, optical property, thermal property",

author = "Nahed Osman and Nodar Osman and Alwaleed Adllan and Bilal, \{Gamar Alanbia\} and Karlo Ayuel",

year = "2013",

month = jan,

day = "1",

doi = "10.1109/ICCEEE.2013.6633978",

language = "English",

isbn = "9781467362313",

series = "Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering: 'Research Makes a Difference', ICCEEE 2013",

publisher = "IEEE Computer Society",

pages = "437--440",

booktitle = "Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering",

address = "United States",

note = "2013 1st IEEE International Conference on Computing, Electrical and Electronics Engineering, ICCEEE 2013 ; Conference date: 26-08-2013 Through 28-08-2013",

}

Osman, N, Osman, N, Adllan, A, Bilal, GA & Ayuel, K 2013, Ab initio method study of ionic conductor CaF₂ in Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering: 'Research Makes a Difference', ICCEEE 2013., 6633978, Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering: 'Research Makes a Difference', ICCEEE 2013, IEEE Computer Society, pp. 437-440, 2013 1st IEEE International Conference on Computing, Electrical and Electronics Engineering, ICCEEE 2013, Khartoum, Sudan, 26/08/13. https://doi.org/10.1109/ICCEEE.2013.6633978

Ab initio method study of ionic conductor CaF₂ . / Osman, Nahed; Osman, Nodar; Adllan, Alwaleed et al.
Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering: 'Research Makes a Difference', ICCEEE 2013. IEEE Computer Society, 2013. p. 437-440 6633978 (Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering: 'Research Makes a Difference', ICCEEE 2013).

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution › peer-review

TY - GEN

T1 - Ab initio method study of ionic conductor CaF2

AU - Osman, Nahed

AU - Osman, Nodar

AU - Adllan, Alwaleed

AU - Bilal, Gamar Alanbia

AU - Ayuel, Karlo

PY - 2013/1/1

Y1 - 2013/1/1

N2 - CaF2, fluorite, is a prime candidate for solid state electrolytes used in batteries could replaced of SiO2 in metal-oxide semiconductor (MOS) technology. Using Ab initio density functional theory (DFT) method corrected by plane augmented waves (PAW) and ultra soft pseudopotential, the structural, electronic, lattice constant, band gab, density of states in addition to thermal and optical properties have been investigated. The results have a good agreement with the experimental data.

AB - CaF2, fluorite, is a prime candidate for solid state electrolytes used in batteries could replaced of SiO2 in metal-oxide semiconductor (MOS) technology. Using Ab initio density functional theory (DFT) method corrected by plane augmented waves (PAW) and ultra soft pseudopotential, the structural, electronic, lattice constant, band gab, density of states in addition to thermal and optical properties have been investigated. The results have a good agreement with the experimental data.

KW - Abinitio

KW - DFT

KW - lattice constant

KW - optical property

KW - thermal property

UR - https://www.scopus.com/pages/publications/84889566615

U2 - 10.1109/ICCEEE.2013.6633978

DO - 10.1109/ICCEEE.2013.6633978

M3 - Conference contribution

AN - SCOPUS:84889566615

SN - 9781467362313

T3 - Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering: 'Research Makes a Difference', ICCEEE 2013

SP - 437

EP - 440

BT - Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering

PB - IEEE Computer Society

T2 - 2013 1st IEEE International Conference on Computing, Electrical and Electronics Engineering, ICCEEE 2013

Y2 - 26 August 2013 through 28 August 2013

ER -

Osman N, Osman N, Adllan A, Bilal GA, Ayuel K. Ab initio method study of ionic conductor CaF₂ In Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering: 'Research Makes a Difference', ICCEEE 2013. IEEE Computer Society. 2013. p. 437-440. 6633978. (Proceedings - 2013 International Conference on Computer, Electrical and Electronics Engineering: 'Research Makes a Difference', ICCEEE 2013). doi: 10.1109/ICCEEE.2013.6633978