Structural and electronic properties of $ \alpha $ -(BEDT-TTF) $ {}_{2}{\mathrm{I}}_{3}$ , $ \beta $ -(BEDT-TTF) $ {}_{2}{\mathrm{I}}_{3}$ , and $ \kappa $ -(BEDT-TTF) $ {}_{2}{X}_{3}$ ( $ X$ = I, F, Br, Cl) organic charge transfer salts

Geilhufe, R. Matthias; Commeau, Benjamin; Fernando, Gayanath W.; Balatsky, Alexander V.

doi:10.1103/PhysRevB.96.125135

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Structural and electronic properties of $\alpha $ -(BEDT-TTF) ${}_{2}{\mathrm{I}}_{3}$ , $\beta $ -(BEDT-TTF) ${}_{2}{\mathrm{I}}_{3}$ , and $\kappa $ -(BEDT-TTF) ${}_{2}{X}_{3}$ ( $X$ = I, F, Br, Cl) organic charge transfer salts

Author(s): Benjamin Commeau , R. Matthias Geilhufe , Gayanath W. Fernando , Alexander V. Balatsky

Publication date (Electronic): September 19 2017

Journal: Physical Review B

Publisher: American Physical Society (APS)

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Generalized Gradient Approximation Made Simple

John P Perdew, Kieron Burke, Matthias Ernzerhof (1997)

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Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

G Kresse, J. Furthmüller (1996)

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Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

David Vanderbilt (1990)

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Journal ID (publisher-id): PRBMDO

Title: Physical Review B

Abbreviated Title: Phys. Rev. B

Publisher: American Physical Society (APS)

ISSN (Print): 2469-9950

ISSN (Electronic): 2469-9969

Publication date Created: September 2017

Publication date (Electronic): September 19 2017

Volume: 96

Issue: 12

Article

DOI: 10.1103/PhysRevB.96.125135

SO-VID: 8c6d0a4c-36b5-48df-bbe9-b2ef171143c4

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Structural and electronic properties of \(\alpha \) -(BEDT-TTF) \({}_{2}{\mathrm{I}}_{3}\) , \(\beta \) -(BEDT-TTF) \({}_{2}{\mathrm{I}}_{3}\) , and \(\kappa \) -(BEDT-TTF) \({}_{2}{X}_{3}\) ( \(X\) = I, F, Br, Cl) organic charge transfer salts

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UN Sustainable Development Goals on ScienceOpen

Most cited references 41

Generalized Gradient Approximation Made Simple

Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set

Soft self-consistent pseudopotentials in a generalized eigenvalue formalism

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