1992 Fiscal Year Annual Research Report

磁性有機分子結晶の電子状態、スピンのゆらぎおよび磁性に関する研究

Research Project

Project/Area Number	04242216
Research Institution	Osaka University
Principal Investigator	鈴木直大阪大学, 基礎工学部, 助教授 (40029559)
Co-Investigator(Kenkyū-buntansha)	白井正文大阪大学, 基礎工学部, 助手 (70221306) 望月和子信州大学, 理学部, 教授 (90029413)
Keywords	有機遍歴磁性体 / 電子帯構造 / 強磁性 / フェリ磁性 / 反強磁性 / 磁気相図 / 磁気異方性 / 双極子相極子相互作用
Research Abstract	今年度行なった研究テーマそれぞれで得られた重要な結果ならびに知見を以下に示す。 1.Cu_2Sb型金属間化合物の磁気相図遍歴電子磁性体Cu_2Sb型化合物の多様な磁気構造を決定している要因を明らかにする目的で、拡張ハバードハミルトニアンに基づき、電子の飛び移りエネルギーと電子相関エネルギーを表すパラメーター空間での磁気相図を決定した。主な結果は、(a)電子数nが小さい領域ではフェリ磁性が、nが大きい領域では強磁性が現れやすい、(b)nが中間の領域では強磁性が現れやすい、(c)なぜフェリ磁性が現れるかあるいはどの型の反強磁性が現れるかはフェルミ面の形やフェルミ面近傍の結合様式に依存する、である。原子軌道の代りに分子軌道を用いた議論を行えば、さらに重要な知見が得られると期待される。 2.LAPW法によるH_2NO仮想結晶の電子帯構造マッフイン・ティンポンシャル近似を用いた計算では、予想されたことではあるがこの物質では共有結合性が強く、H_2NO分子の電子状態を反映したバンド構造を得ることはできなかった。次にフルポテンシャルを用いた計算を行なった結果、ある程度H_2NO分子の電子状態を反映したバンド構造を得ることに成功した。今回行なった計算は、H_2NO分子の性格を失わない範囲で密に分子を配列さをた構造における常磁性状態に対するものであるが、現実的な配列での磁性状態に対する計算も可能である見とおしがついたと言える。 3.磁気双極子相互作用に起因する磁気異方性エネルギーエバルトの方法で任意の結晶系でかつ任意のスピン配列に対して磁気双極子相互作用エネルギーを計算できるプログラムをほぼ完成させたので、今後、局在スピン分子磁性体の磁化容易軸の決定あるいはスピンフロップ転移の議論が容易に行なえると思われる。

Research Products
(18 results)

All Other

All Publications (18 results)

[Publications] K.Motizuki: "Electronic Structures and Bomding Nature of Intercalation Compounds of 1T-Type Tis_2." Materials Scicence Forum. 91-93. 381-386 (1992)
[Publications] K.Motizuki: "Itinerant Magnerism of Mn-Intercalated Compoumds of 2H-Type TaS_2." J.Mag.& Mag.Mater.104-107. 681-682 (1992)
[Publications] M.Suzuki: "Electronic Band Structure in the Ferrimagnetic State of Mn_2Sb." J.Phys. : Comdens.Matter. 4. L33-L36 (1992)
[Publications] K.Motizuki: "Electronic Band Structures and Magnetism of Intermetallic Cu_2Sb-Type Mangamese Compounds MnAlGe and MnGaGe." J.Mage.& Mage. Mater.104-107. 1923-1924 (1992)
[Publications] K.Motizuki: "A Role of Electron-Phonon Interaction in Oxide Superconductors." Jap.J.Appl.Phys.Series7. 358-364 (1992)
[Publications] T.Ito: "Electronic Band Structure of Intermetallic Compounds Cu_2Sb." J.Phys.Soc.Jpn.61. 2202-2205 (1992)
[Publications] N.Suzuki: "Bonding Nature of Intercalation Compounds M_<1/3>TiS_2(M=Transition-Metal Atom,Silver Atom,Alkali-Metal Atom)." Proc,Int,Conf on Physics of Transition Metals. (1993)
[Publications] Y.Nishio: "Electron-Phonon Interaction,Lattice Dynamics and Superconductivity of Layered Transition-Metal Dichalcogenied NbS_2." Proc.Int.Conf.on Physics of Transition Metals. (1993)
[Publications] M.Shirai: "The Electronic Band Structures for an Antiferromagnetic State of Cu_2Sb-Type Intermetallic Compound Cr_2As." Proc.Int.Conf.on Physics of Transition Metals. (1993)
[Publications] T.Syda: "Electronic Band Structures of Aniferromagnetic Ordered Alloy FePt_3." Proc.Int.Conf.on Physics of Transition Metals. (1993)
[Publications] M.Shirai: "Electron-Phonon Interaction and Superconductivity in Oxids Superconductors La_<2-X>Sr_XCuO_4." Proc.Int.Conf.on Physics of Transition Metals. (1993)
[Publications] K.Motizuki: "A Role of Electron-Phonon Interaction in Oxide Superconductors." Physica B. (1993)
[Publications] K.Motizuki: "Role of Electron-Phonon Interaction in Lattice Dynamics and Superconductivity of La_<2-X>Sr_XCuO_4." Proc.Second CINVESTAV Superconductivity Symposium. (1993)
[Publications] N.Suzuki: "Bands,Bonds and Magnetism of Intercalation Compounds of Transition-Metal Dichalcogsmides." Recent Advances in Magnetism of Transition Metal Compounds. (1993)
[Publications] K.Motizuki: "Electronic Structure and Spin Fluctuation of NiAs-Type Transition Metal Compounds." Recent Advances in Magnetism of Transition Metal Compunds. (1993)
[Publications] M.Shirai: "Electronic Structure and Magnetism of Cu_2Sb-Type Transition Metal Compounds." Recent Advances in Magnetism of Transition Metal Compounds. (1993)
[Publications] E.Kulatov: "Pressure Dependences of Electronic and Optical Properties of MsAS, and Mn_2Sb." Recent Advances in Magnetism of Transition Metal Compounds. (1993)
[Publications] K.Motizuki: "Intercalation Compounds of Transition-Metal Drchalcogenides." Physics of New Materials-A Status Report. (1993)

1992 Fiscal Year Annual Research Report

磁性有機分子結晶の電子状態、スピンのゆらぎおよび磁性に関する研究

Principal Investigator

鈴木 直 大阪大学, 基礎工学部, 助教授 (40029559)

Research Products

[Publications] K.Motizuki: "Electronic Structures and Bomding Nature of Intercalation Compounds of 1T-Type Tis_2." Materials Scicence Forum. 91-93. 381-386 (1992)

[Publications] K.Motizuki: "Itinerant Magnerism of Mn-Intercalated Compoumds of 2H-Type TaS_2." J.Mag.& Mag.Mater.104-107. 681-682 (1992)

[Publications] M.Suzuki: "Electronic Band Structure in the Ferrimagnetic State of Mn_2Sb." J.Phys. : Comdens.Matter. 4. L33-L36 (1992)

[Publications] K.Motizuki: "Electronic Band Structures and Magnetism of Intermetallic Cu_2Sb-Type Mangamese Compounds MnAlGe and MnGaGe." J.Mage.& Mage. Mater.104-107. 1923-1924 (1992)

[Publications] K.Motizuki: "A Role of Electron-Phonon Interaction in Oxide Superconductors." Jap.J.Appl.Phys.Series7. 358-364 (1992)

[Publications] T.Ito: "Electronic Band Structure of Intermetallic Compounds Cu_2Sb." J.Phys.Soc.Jpn.61. 2202-2205 (1992)

[Publications] N.Suzuki: "Bonding Nature of Intercalation Compounds M_<1/3>TiS_2(M=Transition-Metal Atom,Silver Atom,Alkali-Metal Atom)." Proc,Int,Conf on Physics of Transition Metals. (1993)

[Publications] Y.Nishio: "Electron-Phonon Interaction,Lattice Dynamics and Superconductivity of Layered Transition-Metal Dichalcogenied NbS_2." Proc.Int.Conf.on Physics of Transition Metals. (1993)

[Publications] M.Shirai: "The Electronic Band Structures for an Antiferromagnetic State of Cu_2Sb-Type Intermetallic Compound Cr_2As." Proc.Int.Conf.on Physics of Transition Metals. (1993)

[Publications] T.Syda: "Electronic Band Structures of Aniferromagnetic Ordered Alloy FePt_3." Proc.Int.Conf.on Physics of Transition Metals. (1993)

[Publications] M.Shirai: "Electron-Phonon Interaction and Superconductivity in Oxids Superconductors La_<2-X>Sr_XCuO_4." Proc.Int.Conf.on Physics of Transition Metals. (1993)

[Publications] K.Motizuki: "A Role of Electron-Phonon Interaction in Oxide Superconductors." Physica B. (1993)

[Publications] K.Motizuki: "Role of Electron-Phonon Interaction in Lattice Dynamics and Superconductivity of La_<2-X>Sr_XCuO_4." Proc.Second CINVESTAV Superconductivity Symposium. (1993)

[Publications] N.Suzuki: "Bands,Bonds and Magnetism of Intercalation Compounds of Transition-Metal Dichalcogsmides." Recent Advances in Magnetism of Transition Metal Compounds. (1993)

[Publications] K.Motizuki: "Electronic Structure and Spin Fluctuation of NiAs-Type Transition Metal Compounds." Recent Advances in Magnetism of Transition Metal Compunds. (1993)

[Publications] M.Shirai: "Electronic Structure and Magnetism of Cu_2Sb-Type Transition Metal Compounds." Recent Advances in Magnetism of Transition Metal Compounds. (1993)

[Publications] E.Kulatov: "Pressure Dependences of Electronic and Optical Properties of MsAS, and Mn_2Sb." Recent Advances in Magnetism of Transition Metal Compounds. (1993)

[Publications] K.Motizuki: "Intercalation Compounds of Transition-Metal Drchalcogenides." Physics of New Materials-A Status Report. (1993)

鈴木直大阪大学, 基礎工学部, 助教授 (40029559)