Flex study of b et 2 aucl 2
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FLEX Study of b ’-(ET) 2 AuCl 2. Hiori Kino ( National institute for materias science ) Hiroshi Kontani ( Nagoya Univ. ) Tsuyoshi Miyazaki ( National institute for materials science ). Motivation. b ’-(ET) 2 ICl 2. b ’-(ET) 2 AuCl 2 *. Structure ambient pressure under applied pressure.

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FLEX Study of b ’-(ET) 2 AuCl 2

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Flex study of b et 2 aucl 2

FLEX Study of b’-(ET)2AuCl2

Hiori Kino (National institute for materias science)

Hiroshi Kontani (Nagoya Univ.)

Tsuyoshi Miyazaki (National institute for materials science)


Motivation

Motivation

b’-(ET)2ICl2

b’-(ET)2AuCl2*

Structure

ambient pressure

under applied pressure

--- Almost the same ET stacking---

insulator

AF insulator

superconductivity

insulator

Why?

*Taniguchi, et al., JPSJ 74, 1370 (2005).


Electronic structure first principles study by miyazaki et al

Electronic structure(first-principles study by Miyazaki et al,)

Dimensionality of Fermi surfaces

b’-(ET)2ICl2

b’-(ET)2AuCl2

Quasi-1D

Quasi-1D

Ambient pressure

Applied pressure

2D

3D


Fermi surfaces tight binding fit

Fermi surfaces (tight binding fit)

4GPa

0GPa

8GPa

c*

b*

a*

12GPa

16GPa

20GPa


Flex study of b et 2 aucl 2

Q?

higher dimensionality of Fermi surface stabilize AF phase

in b’-(ET)2AuCl2?

  • Methods:

    • Hamiltonian:

    • tight binding model (ET dimer model)

    • effective on-site (intra-dimer) Coulomb interaction

    • Perturbation theory:

    • FLEX-approximation


Results

Results

TN

Ueff=0.5eV

No SC phase


Discussion

Discussion

c*

b’-(ET)2AuCl2

b*

(p,p,0)

a*

Temperature

Enhance

(2D→3D)

TN

Fermi surface nesting?

U?

Suppress

(→1D)

AF

No SC phase

Pressure

b’-(ET)2ICl2

Temperature

Suppress

(→1D)

2D

AF

Pressure

SC


Discussion 2

Discussion (2)

temperature

TN

interlayer

dimensionality

TN

Pressure

AuCl2

TSC

Pressure

ICl2

intralayer

dimensionality


Fermi surfaces extended zone

Fermi surfaces (extended zone)

12GPa

20GPa


Summary

Summary

  • b’-(ET)2AuCl2

    • AF phase is stabilized under applied pressures.

    • Reason:

      • Higher-dimensionality

      • U → better FS nesting


Fermi surfaces 2d b axis off

Fermi surfaces (2D, b-axis-off)

c*

a*

0GPa

4GPa

8Gpa

20GPa

12GPa

16GPa

→Destabilize AF?


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