Electronic Band Structures of 1T-Type TiS_2 Intercalated with Light 3d Transition-Metals
スポンサーリンク
概要
- 論文の詳細を見る
Electronic band structures are calculated for the non-magnetic states of M.7,TiS.(M=Ti, V, Cr) and for the ferromagnetic state of Cr.7.TiS. and Co.z.TiS.. Thedispersion curves and the density of states of V.z,TiS. and those of Cr.z,TiS. arequite similar each other. In contrast with Co. z,TiS. or Ni. 7. TiS. the 3d states of Cr orV atoms hybridize mainly with the Ti 3d states, and hybridization with the S 3 p statesis small. The magnetic moment of ferromagnetic Cr. 7,TiS. is obtained to be 2.9 p.per Cr ion, which is about four times larger than the observed value. The moment offerromagnetic Co. 7,TiS. is obtained to be 0.79 p. per Co ion, which is close to the experimental value, 0.5 p.. The calculated densities of states at the Fermi level explainwell the observed M-dependence of the coefficient y of electronic specific heat.[APW band calculation, transition-metal dichalcogenide, intercalation corn- ll pound, ferromagnetic state, Tie.l
- 1991-03-15
著者
-
TESHIMA Tatsuya
Department of Material Physics,Faculty of Engineering Science,Osaka University
-
SUZUKI Naoshi
Department of Material Physics,Faculty of Engineering Science,Osaka University
-
MOTIZUKI Kazuko
Department of Material Physics,Faculty of Engineering Science,Osaka University
-
Suzuki Naoshi
Department Of Material Phsics Faculty Of Engineering Science Osaka University
-
Teshima Tatsuya
Department Of Material Physics Faculty Of Engineering Science Osaka University
-
Motizuki Kazuko
Department Of Applied Physics Faculty Of Science Okayama University Of Science
関連論文
- Electronic Band Structures of 1T-Type TiS_2 Intercalated with Light 3d Transition-Metals
- Pressure Effects in Ferromagnetism of Orbital Ordering Ferromagnet
- Application of Frozen-Phonon Method to Lattice Dynamics in FCC Solid Iodine
- Pressure Effects on Electronic Structure and Electron-Lattice Interaction of Cubic Phase of Solid Iodine
- Study of Magnetic Excitation in Singlet-Ground-State Magnets CsFeCl_3 and RbFeCl_3 by Nuclear Magnetic Relaxation
- Softening Effect of Magnetic Excitation on Nuclear Spin-Lattice Relaxation of ^Cs in Singlet-Ground-State Magnet CeFeCl_3
- Magnetic Susceptibility of Spin-Alternating Chains
- RKKY Interaction in Transition-Metal Intercalation Compounds of 1T-Type TiS_2
- Electronic Band Structures and Bond Orders of M_TiS_2(M=Mn,Fe,Co,Ni)
- Theoretical Investigation of Magnetic Structure and Hyperfine Field of NaCl-Type FeN
- Electronic,Structural and Magnetic Properties of Transition-Metal Mononitrides
- Theoretical Study of the Structural Phase Transition in Layer Compounds TiCl_3, VCl_3 and CrCl_3(Phase Transition・Charge Density Wave)
- Optical Absorption Spectra Associated with Solitons and Polarons in One-Dimensional Mixed-Valence Metal Complexes
- Theory of Spin-Dependent Phonon Raman Scattering in Magnetic Crystals
- Magnetism of Spin System with Alternating Strong and Weak Exchagne Coupling. II. Magnetization Process of RbMnCl_3
- Theoretical Study of Magnetic Ordering of Cu_2Sb-type Intermetallic Coumpounds
- Optical Absorption Spectra in One-Dimensional Mixed-Valence Complexes Pt-X (X=Cl, Br, I)
- Pressure-induced Superconductivity in Elemental Materials
- Role of Electron-Lattice Interaction in Layered Transition Metal Dichalcogenide 2H-NbS_2. I. Phonon Anomaly and Superconductivity
- Electronic Structure and Magnetic and Optical Properties of NiAs-type Transition-Metal Chalcogenides MX (M=Fe, Co; X=S, Se)
- Electronic structure and Ferromagnetic-Antiferromagnetic Transition in Cubic Perovskite-type Compound Mn_3GaC
- Pressure Effects on Electronic Structure and Magentism of Cu_2Sb-Type Compound Mn_2Sb
- Theory of Nuclear Magnetic Relaxation in KCoF_3 Having Residual Orbital Moment
- Electronic Band Structures of Intermetallic Compound Cu_2Sb
- Theory of Temperature-Induced Helix-Antiferro Transition Based on the Self-Consistent-Harmonic Approximation-Application to NiBr_2
- Electronic Band Structure and Superconductivity in Simple-Cubic Phosphorus
- A Role of Electron-Phonon Interaction in Oxide Superconductors : IV-B Superconductivity : IV Mechanisms of Superconductivity; Theory
- Jahn-Teller Effect on Optical Absorption Spectra of MnO
- Electronic Band Structure and Structural Transformation from NiAs-Type to MnP-Type of CoAs and NiAs
- Spin Fluctuation Theory of Intermetallic Compound MnAs
- Electronic Band Structures for Non-Magnetic and Ferromagnetic States of Transition-Metal Intercalation Compound Mn_TaS_2
- Electron-Lattice Interaction and Lattice Dynamics in Black Phosphorus
- Anisotropy of g-Factor and Magnetic Anisotropy Energy of Antiferromagnetic Cu-Compound Bi_2CuoO_4
- Correlation Effect on Optical Absorption in One-Dimensional Peierls-Hubbard Systems
- Electronic Band Structures of Cu_2Sb-Type Intermetallic Compounds
- Spin-Peierls Transition in Alkali-TCNQ Salts
- Paramagnetic Susceptibility of Mn (CH_3COO)_24H_2O
- Theoretical Study of Lattice Instability and Lattice Dynamics of 2H-TaSe_2 and 2H-NbSe_2 II.Lattice Dynamics and Phonon Anomalies
- Effect of Self-diffusion on the Ortho-para Conversion in Oxiygen Contaminated Solid Hydrogen
- A Possibillity of Triple-Q Incommensurate Magnetic Structre in RbFeCl_3-Type Triangular Antiferromagnets
- Note on the Effect of Oxygen Molecules Contained in Solid Hydrogen on the Rate of Ortho-para Conversion
- Incommensurate Magnetic Structures in Triangular Antiferromagnets Caused by the Dipole-Dipole Interaction:a Realization of Conical-Point Instability
- Study of Magnetic Properties of KCoF_3 by Dynamical Correlated Effective Field Approximation
- Internal Magnetic Field at Co Nuclei in Co-Ferrite
- Electron Lattice Interaction and Lattice Instability of 1T-TiSe_2
- Theoretical Study of Lattice Instability and Lattice Dynamics of 2H-TaSe_2 and 2H-NbSe_2.I.Electron-Lattice Interaction and Generalized Electronic Susceptibility
- Microscopic Theory of the CDW State of 1T-TiSe_2
- Electron-Lattice Interactions and Lattice Instabilities of 1T-VSe_2,1T-CrSe_2 and 1T-TiS_2
- Lattice Dynamics of 1T-TiSe_2
- Note on Para-Ortho Conversion in Solid Deuterium
- Role of Spin Fluctuation in Spontaneous Magneto-Volume Effects of Intermetallic Compounds MnAs and MnAs_P_x
- On the Magnetic Anisotropy of FeF_2 and CoF_2
- Theory of the Ortho-Para Conversion in Solid Hydrogen
- Microscopic Theory of Structural Transformation of NiAs-Type Compounds
- Dipole-Dipole Interaction and Field-Induced Phase Transition in Molecular Antiferromagnet MOTMP
- Theoretical Study of the Phase Transition in Layer Compound TiCl_3
- Theory of the Nuclear Magnetic Resonance of Co^ in CoO
- Magnetism of Spin System with Alternating Strong and Weak Exchange Coupling. I. Theoretical Study
- Application of the Dynamical Correlated-Effective-Field Approximation to the Triangular Spin Structure of the Singlet-Ground-State Hexagonal Antiferromagnets
- Theoretical Study of Magnetic and Optical Properties of Pseudo-One-Dimensional System RbFeCl_3
- Magnetic Excitation in Singlet-Ground-State System CsFeCl_3
- Dynamical Correlated-Effective-Field Approximation
- Theoretical Study of Magnetic Properties of Singlet-Ground-State System RbFeCl3
- Theory of the Para-Ortho Conversion in Solid Deuterium