Analysis of photoinduced magnetization in a (Co, Fe) Prussian blue model

Kazunari Yoshizawa, Fumihito Mohri, Gerhard Nuspl, Tokio Yamabe

研究成果: ジャーナルへの寄稿記事

42 引用 (Scopus)

抄録

The electronic properties of a modified (Co, Fe) Prussian blue compound, which exhibits interesting photoinduced magnetic properties, are analyzed. For band structure calculations we set realistic models (for the ground and excited states) that involve interstitial potassium ions, crystal water, and lattice defects. The top of the "t2g" block consists mainly of Fe 3d orbitals, the low-lying "eg(1)" block Co 3d. and the high-lying "eg(2)" block Fe 3d. Because of the influence of crystal water coordinating to the Co ion, the "eg(1)"-block bands split into two parts; one is the "eg(1)(N)" block originating from the Co-NC fragment and another the "eg(1)(O)" block from the Co-OH2 fragment. The energy of visible light causing the magnetization enhancement is close to the computed "t2g(Fe-based)-eg(1)(N)" and "t2g(Fe-based)-eg(1)(O)" separations in the ground-state model. It is reasonable from DOS (density of states) analyses that irradiation with visible light causes an electron transfer from the Fe(II) to the Co(III) ions, through which the magnetization is effectively enhanced. Such an electron transfer is not a d-d transition on the same metal ion so that the Laporte rule may not be applied, or if applied, this rule may be relaxed in the (Co, Fe) Prussian blue.

元の言語英語
ページ(範囲)5432-5437
ページ数6
ジャーナルJournal of Physical Chemistry B
102
発行部数28
出版物ステータス出版済み - 7 9 1998

Fingerprint

Magnetization
Ions
magnetization
Ground state
electron transfer
fragments
Crystals
ions
ground state
Electrons
Water
Crystal defects
Electron transitions
Excited states
Electronic properties
Band structure
water
crystals
Metal ions
Potassium

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films
  • Materials Chemistry

これを引用

Analysis of photoinduced magnetization in a (Co, Fe) Prussian blue model. / Yoshizawa, Kazunari; Mohri, Fumihito; Nuspl, Gerhard; Yamabe, Tokio.

:: Journal of Physical Chemistry B, 巻 102, 番号 28, 09.07.1998, p. 5432-5437.

研究成果: ジャーナルへの寄稿記事

Yoshizawa, K, Mohri, F, Nuspl, G & Yamabe, T 1998, 'Analysis of photoinduced magnetization in a (Co, Fe) Prussian blue model', Journal of Physical Chemistry B, 巻. 102, 番号 28, pp. 5432-5437.
Yoshizawa, Kazunari ; Mohri, Fumihito ; Nuspl, Gerhard ; Yamabe, Tokio. / Analysis of photoinduced magnetization in a (Co, Fe) Prussian blue model. :: Journal of Physical Chemistry B. 1998 ; 巻 102, 番号 28. pp. 5432-5437.
@article{3c5214e5a8064221a67fb1b8e68bf826,
title = "Analysis of photoinduced magnetization in a (Co, Fe) Prussian blue model",
abstract = "The electronic properties of a modified (Co, Fe) Prussian blue compound, which exhibits interesting photoinduced magnetic properties, are analyzed. For band structure calculations we set realistic models (for the ground and excited states) that involve interstitial potassium ions, crystal water, and lattice defects. The top of the {"}t2g{"} block consists mainly of Fe 3d orbitals, the low-lying {"}eg(1){"} block Co 3d. and the high-lying {"}eg(2){"} block Fe 3d. Because of the influence of crystal water coordinating to the Co ion, the {"}eg(1){"}-block bands split into two parts; one is the {"}eg(1)(N){"} block originating from the Co-NC fragment and another the {"}eg(1)(O){"} block from the Co-OH2 fragment. The energy of visible light causing the magnetization enhancement is close to the computed {"}t2g(Fe-based)-eg(1)(N){"} and {"}t2g(Fe-based)-eg(1)(O){"} separations in the ground-state model. It is reasonable from DOS (density of states) analyses that irradiation with visible light causes an electron transfer from the Fe(II) to the Co(III) ions, through which the magnetization is effectively enhanced. Such an electron transfer is not a d-d transition on the same metal ion so that the Laporte rule may not be applied, or if applied, this rule may be relaxed in the (Co, Fe) Prussian blue.",
author = "Kazunari Yoshizawa and Fumihito Mohri and Gerhard Nuspl and Tokio Yamabe",
year = "1998",
month = "7",
day = "9",
language = "English",
volume = "102",
pages = "5432--5437",
journal = "Journal of Physical Chemistry B",
issn = "1520-6106",
publisher = "American Chemical Society",
number = "28",

}

TY - JOUR

T1 - Analysis of photoinduced magnetization in a (Co, Fe) Prussian blue model

AU - Yoshizawa, Kazunari

AU - Mohri, Fumihito

AU - Nuspl, Gerhard

AU - Yamabe, Tokio

PY - 1998/7/9

Y1 - 1998/7/9

N2 - The electronic properties of a modified (Co, Fe) Prussian blue compound, which exhibits interesting photoinduced magnetic properties, are analyzed. For band structure calculations we set realistic models (for the ground and excited states) that involve interstitial potassium ions, crystal water, and lattice defects. The top of the "t2g" block consists mainly of Fe 3d orbitals, the low-lying "eg(1)" block Co 3d. and the high-lying "eg(2)" block Fe 3d. Because of the influence of crystal water coordinating to the Co ion, the "eg(1)"-block bands split into two parts; one is the "eg(1)(N)" block originating from the Co-NC fragment and another the "eg(1)(O)" block from the Co-OH2 fragment. The energy of visible light causing the magnetization enhancement is close to the computed "t2g(Fe-based)-eg(1)(N)" and "t2g(Fe-based)-eg(1)(O)" separations in the ground-state model. It is reasonable from DOS (density of states) analyses that irradiation with visible light causes an electron transfer from the Fe(II) to the Co(III) ions, through which the magnetization is effectively enhanced. Such an electron transfer is not a d-d transition on the same metal ion so that the Laporte rule may not be applied, or if applied, this rule may be relaxed in the (Co, Fe) Prussian blue.

AB - The electronic properties of a modified (Co, Fe) Prussian blue compound, which exhibits interesting photoinduced magnetic properties, are analyzed. For band structure calculations we set realistic models (for the ground and excited states) that involve interstitial potassium ions, crystal water, and lattice defects. The top of the "t2g" block consists mainly of Fe 3d orbitals, the low-lying "eg(1)" block Co 3d. and the high-lying "eg(2)" block Fe 3d. Because of the influence of crystal water coordinating to the Co ion, the "eg(1)"-block bands split into two parts; one is the "eg(1)(N)" block originating from the Co-NC fragment and another the "eg(1)(O)" block from the Co-OH2 fragment. The energy of visible light causing the magnetization enhancement is close to the computed "t2g(Fe-based)-eg(1)(N)" and "t2g(Fe-based)-eg(1)(O)" separations in the ground-state model. It is reasonable from DOS (density of states) analyses that irradiation with visible light causes an electron transfer from the Fe(II) to the Co(III) ions, through which the magnetization is effectively enhanced. Such an electron transfer is not a d-d transition on the same metal ion so that the Laporte rule may not be applied, or if applied, this rule may be relaxed in the (Co, Fe) Prussian blue.

UR - http://www.scopus.com/inward/record.url?scp=0000465017&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0000465017&partnerID=8YFLogxK

M3 - Article

VL - 102

SP - 5432

EP - 5437

JO - Journal of Physical Chemistry B

JF - Journal of Physical Chemistry B

SN - 1520-6106

IS - 28

ER -