Band-structure parameters of organic conductors, TSeT2Cl,TTT2I3, and TSeT2SCN.
スポンサーリンク
概要
- 論文の詳細を見る
The band-structure parameters of organic conductors, TSeT<SUB>2</SUB>Cl, TTT<SUB>2</SUB>I<SUB>3</SUB>, and TSeT<SUB>2</SUB>SCN (TSeT; 5,6: 11,12-bis(diseleno)naphthacene; common name: tetraselenotetracene, and TTT; 5,6:11,12-bis(dithio)naphthacene; common name: tetrathiotetracene) were calculated using semiempirical molecular-orbital calculations. The longitudinal bandwidth <I>W</I> and the anisotropy parameter α of TSeT<SUB>2</SUB>Cl were obtained as 0.6 eV and 0.188 respectively. The shape of the Fermi surface, as calculated from the tight-binding theory and the large anisotropy parameter, agrees with its semimetallic nature at low temperatures. In TTT<SUB>2</SUB>I<SUB>3</SUB>, <I>W</I>=0.56 eV, and α=0.018. This compound was regarded as a one-dimensional metal. The semiconductive conduction of TSeT<SUB>2</SUB>SCN was interpreted in terms of the small bandwidth, <I>W</I>=0.26 eV.
- 公益社団法人 日本化学会の論文
著者
-
Kobayashi Hayao
Department Of Chemistry Faculty Of Science Toho University
-
Kobayashi Akiko
Department Of Biopharmaceutics Meiji Pharmaceutical University
-
Mori Takehiko
Department of Chemistry and Materials Science, Tokyo Institute of Technology, Meguro, Tokyo 152-8552, Japan
-
Sasaki Yukiyoshi
Department of Chemistry and The Research Centre for Spectrochemistry, Faculty of Science, The University of Tokyo
関連論文
- Mysterious Paramagnetic States of Fe 3d Spin in Antiferromagnetic Insulator of λ-BETS_2FeCl_4 System(Condensed matter: structure and mechanical and thermal properties)
- Isotropic Uniaxial Strain Effect on the Incommensurate Organic Superconductor: (MDT-TS)(AuI_2)_(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
- Anisotropic Three-dimensional Superconductivity of the Incommensurate Organic Superconductor (MDT-ST)(I_3)_(Condensed Matter : Electronic Structure, Electrical, Magnetic and Optical Properties)
- Synthesis and Structures of Highly Conducting Charge-Transfer Salts of Selenium Containing TTM-TTP Derivatives
- Synthesis and Structures of Neutral Crystals and Charge-Transfer Salts of Selenium Containing TMET-TTP Derivatives
- Dimerization Effect on the Physical Properties in New One-Dimensional Organic Conductors: (ChTM-TTP)_2AuBr_2, (ChTM-TTP)_2GaCl_4, and (ChTM-TTP)ReO_4
- Marginal Paramagnetic State of a One-Dimensional Half-Filled Alternating Chain in (TTM-TTP) AuI_2 : Condensed Matter: Electronic Properties, etc.
- A Novel Organic Conductor with Three-Dimensional Molecular Array: (TM-TPDS)_2AsF_6
- ESR Investigation of Organic Conductors (DTM-TTP)(TCNQ)(TCE) and (TMET-TTP)_2(TCNQ) : Condensed Matter: Electronic Properties, etc.
- Raman Investigation of the One-Dimensional Organic Conductor with a Half-Filled Band,(TTM-TTP) I_3
- Structures and Electrical Properties of (EO-TTP)_2AsF_6
- Structures and Properties of (TMEO-ST-TTP)_2AsF_6
- Novel One-Dimensinal Organic Conductor Based On Selenium-Containing Bis-Fused Tetrathiafulvalene Derivative, (TSM-TTP)(I_3)5/3
- Structure and Properties of (DTM-TTP)(TCNQ)(TCE) and the Related Complex
- OE-209 Higher Levels of Urinary 11-dehydro-thromboxane B2 is Strongly Associated with Future Cardiovascular Events in Patients with Stable Coronary Artery Disease(OE36,Atherosclerosis (Clinical/Treatment) (IHD),Oral Presentation (English),The 73rd Annual
- FRS-037 Expression of COX-2 in Platelets is a Strong Risk Factor for Future Cardiovascular Events in Patients with Acute Coronary Syndrome(FRS8,Novel Biomarkers and Pathophysiology of ACS (IHD),Featured Research Session (English),The 73rd Annual Scientifi
- High Carrier Mobility in Mesophase of a Dithienothiophene Derivative
- Organic Field-effect Transistors Based on Solution-processible Dibenzotetrathiafulvalene Derivatives
- (Tetrathiafulvalene)(tetracyanoquinodimethane) as a Contact Material for n-Channel and Ambipolar Organic Transistors
- Syntheses and Properties of Oligothiophenes with Cyano and Hexyl Groups
- ^Se NMR Evidence for the Jaccarino-Peter Mechanism in the Field Induced Superconductor, λ-(BETS)_2FeCl_4(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
- Non-thermal Evidence for Current-Induced Melting of Charge Order in θ-(BEDT-TTF)_2CsZn(SCN)_4
- New BETS Salt with Iodomercurate Anion : (BETS)_4Hg_3I_8
- Tetrathiapentalene Derivatives with Long Alkyl Chains
- Discontinuous Change of Metal-Insulator Transition in the Alloyed θ-system: θ-(BEDT-TTF)_2(Rb_Cs_x)Zn(SCN)_4 : Condensed Matter: Electronic Properties, etc.
- Structural Genealogy of BEDT-TTF-Based Organic Conductors II. Inclined Molecules : θ, α, and χ Phases
- Crystal Structure and Physical Properties of M=Rb and Tl Salts of (BEDT-TTF)_2MM'(SCN)_4 [M'=Co, Zn]
- Crystal Structure and Conducting Property of a Metallic Charge-Transfer Complex Based on a Novel Tellurophene-Extended[3]Radialene Acceptor
- Single-Component Molecular Metals as Multiband π-d Systems(Condensed matter: electronic structure and electrical, magnetic, and optical properties)
- New Stable Metallic Salt Based on a Donor Molecule Containing peri-Ditellurium Bridges, TMTTeN(SCN)_
- Electronic Structures of Single Component Molecular Metals Based on Ab initio Calculation(Condensed matter: electronic structure and electric, magnetic, and optical properties)
- Resistance Measurements of Microcrystals of Single-component Molecular Metals Using Finely Patterned Interdigitated Electrodes
- Magnetic Structure in the Antiferromagnetic State of the Organic Conductor, (DMe-DCNQI[3,3 : 1]d_7)_2Cu : ^1H-NMR Analysis
- Novel Electronic States of Partially Deuterated (DMe-DCNQI)_2Cu
- Weak Ferromagnetism and Magnetic Anisotropy in Cu Salt of Fully Deuterated DMe-DCNQI, (DMe-DCNQI-d_8)_2Cu
- Giant Metal-Insulator-Metal Transition Induced by Selective Deuteration of the Molecular Conductor, (DMe-DCNQI)_2Cu (DMe-DCNQI = 2,5-dimethyl-N,N'-dicyanoquinonediimine)
- Electrical and Magnetic Properties of BETS Conductor with Modified λ-type Structure, λ'-(BETS)_2GaBr_4
- Syntheses and Crystal Structures of ET and BETS Salts Containing Bis(dithiosquarato)metalate Anions
- The Electrical Behavior of Charge-Transfer Salts Based on an Unsymmetrical Donor Bis(ethylenedithio)diselenadithiafulvalene(STF) : Disorder Effect on the Transport Properties
- Electrical Resistivity under High Pressure and Upper Critical Magnetic Field of the Molecular Superconductor α-(EDT-TTF)[Ni (dmit)_2]
- Electrical and Optical Properties of α-(BETS)_2I_3 and α-(BEDT-STF)_2I_3
- New Organic Metals Based on BETS Compounds with MX_ Anions (BETS=bis(ethylenedithio)tetraselenafulvalene; M = Ga, Fe, In; X=Cl, Br)
- A New Organic Superconductor, λ-(BEDT-TSF)_2GaCl_4
- New Molecular Superconductor, [Me_2Et_2N] [Pd(dmit)_2]_2
- Superconducting Transition Temperature of the Organic Alloy System. κ-[(BEDT-TTF)_(BEDT-STF)_x]_2Cu[N(CN)_2」Br
- Cu NMR Study in DCNQI-Cu System
- Formate Dehydrogenase in Rice Plant : Growth Stimulation Effect of Formate in Rice Plant
- Shubnikov-de Haas Effect in (TMTSF)_2CIO_4
- First Ambient-pressure Superconductor Based on Ni(dmit)2, α-EDT-TTF[Ni(dmit)2]
- Metal Instability of (DMe-DCNQI)_2 Cu Induced by Uniaxial Stress and Enhancement of Electron Mass
- Magnetic and Structural Properties of Mixed-Valence Molecular Conductors (DMeDCNQI)_2Cu and (DMeODCNQI)_2Cu
- Improved Quantitative Determination of Total and Unbound Concentrations of Six Teicoplanin Components in Human Plasma by High Performance Liquid Chromatography(Miscellaneous)
- Pressure-Induced One-Dimensional Instability in (DMDCNQI)_2Cu
- Temperature-Composition Phase Diagram of the Organic Alloys, λ-BEST_2(Fe_xGa_)Cl_4, with Mixed Magnetic and Non-Magnetic Anions
- Reflectance Spectra of k-(BEDT-TTF)_2I_3:Electronic Structure of Dimeric BEDT-TTF Salts
- Temperature Dependence of the Polarized Reflectance Spectra of the θ-Type of Bis (ethylenedithio) tetrathiafulvalenium Triiodide θ-(BEDT-TTF)_2I_3:Estimation of Band Parameters
- A New Ni(dmise)_2 Complex N,N-dimethylpiperidinium[Ni(dmise)_2]_2, with Stable Metallic State
- Electrical and Structural Properties and Phase Diagram of a Molecular Superconductor β-[(CH_3)_4N][Pd(dmit)_2]_2
- Biochemical Characterization of Temporomandibular Joint Disc
- Conducting properties of κ-Type Molecular Metals, A New Pd(dmit)_2 Superconductor and Electron Mass Enhancement in DCNQI-Cu Systems : V-A Organic Syntheses : V Organic Superconductors
- Magnetic and Thermal Properties of \lambda-(BETS)2FeCl4 System ---Fe 3d Spin in Antiferromagnetic Insulating Phase---
- Dielectric Properties of Water Chains Incorporated in Porous Coordination Polymer Crystal [Cu(C_6H_4NO_2)_2]
- Single-component Layered Molecular Conductor, [Au(ptdt)_2]
- Evidence of Charge Disproportionation in $\lambda$ Type BETS Based Organic Superconductors
- Synthesis, crystal structure, and physical properties of the charge-transfer complex bis[benzo[1,2-c:3,4-c':5,6-c"]trithiophene]-tetra-fluorotetracyanoquinodimethan, (BTT)2(TCNQF4).
- Orbital Effect on FFLO Phase and Energy Dissipation due to Vortex Dynamics in Magnetic-Field-Induced Superconductor \lambda-(BETS)
- Orbital Effect on FFLO Phase and Energy Dissipation due to Vortex Dynamics in Magnetic-Field-Induced Superconductor λ-(BETS)₂FeCl₄
- Crystal and molecular structure of a chelating ylide complex of palladium: [(Benzoylmethylene)diphenyl-2-(diphenylphosphino)-ethylphosphorane]dichloropalladium(II) toluene solvate.
- The crystal structure of Na2H2(Co4I3O18(OH2)6)-(Co4I3O16(OH)2(OH2)6)22H2O.
- The Crystal Structure of α-Barium 12-Tungstosilicate, α-Ba2SiW12O40·16H2O
- Reflectance spectra of the 1:1 salts of bis(methylenedithio)tetrathiafulvalene(BMDT-TTF): Estimation of the on-site coulomb energy.
- The oxidation reaction of Tl(I) to Tl(III) by the peroxodisulfate ion. I. Kinetics and mechanism in an aqueous solution.
- The intermolecular interaction of tetrathiafulvalene and bis(ethylenedithio)tetrathiafulvalene in organic metals. Calculation of orbital overlaps and models of energy-band structures.
- The crystal structure of (TMTTF)2ReO4.
- The crystal and molecular structures of bis(ethylenedithio)tetrathiafulvalene.
- Structural studies of partially oxidized one-dimensional bis(oxalato)-platinate salts containing bivalent cations: Ni0.84(Pt(C2O4)2)6H2O.
- Superconductivity and characterization of the high-pressure reaction products of carbon diselenide, CSe2.
- New multi-sulfur 1,2-dithiolene complexes. Preparation, structure, and electrochemical properties.
- The crystal structure of the ammonium bromide complex of 1,4,7,10,13,16-hexaoxacyclooctadecane (18-crown-6), C12H24O6 NH4Br 2H2O.
- Peierls structure of (H3O)0.33Li0.8(Pt(mnt)2)1.67H2O.
- Crystal and molecular structure of tetrabutylammonium bis(1,4-dithiin-2,3-dithiolato)nickelate(III), (Bun4N)[Ni(ddt)2].
- The crystal and band electronic structures of bis(4,5-ethylenedithio-4',5'-(vinylenedithio)tetrathiafulvalenium)hexafluorophosphate, and hexafluoroarsenate (EVT2PF6 and EVT2AsF6).
- Crystal structure and molecular structure of neutral nickel bis(5,6-dihydro-1,4-dithiin-2,3-dithiolate), Ni(dddt)2.
- The crystal structure of tetramethyltetraselenafulvalenium perrhenate, (TMTSF)(ReO4)(C2H3Cl3)0.25.
- The Crystal Structure of Acridinium Bis(7,7,8,8-Tetracyanoquinodimethanide), ARD+(TCNQ)2− and Some Remarks on the Possibility of a Peierls Distortion of a Linear Chain of TCNQ
- An X-Ray Analysis of the Orientational Disorder of N-Methylphenazinium-TCNQ
- The crystal structure of the charge-transfer complex of dibenzotetrathiafulvalene-tetracyanoquinodimethane, DBTTF-TCNQ.
- The Crystal Structure of Tetraiodo-p-benzoquinone
- Phase transitions of the 1:2 complex of N-ethyl-N-methylmorpholinium and 7,7,8,8-tetracyanoquinodimethan, MEM(TCNQ)2 above room temperature.
- The Crystal Structure of an N-Methylphenothiazine–7,7,8,8-Tetracyanoquinodimethane Complex, N-MePZT–TCNQ
- Structure of Polyvanadotungstates. I. The Crystal Structure of α-(CN3H6)4V2W4O19
- Kinetic studies of the oxidation of L-ascorbic acid by the peroxodisulfate ion, and of copper(II)-catalysis.
- The Crystal Structure of Rb(TCNQ)-II
- Molecular and crystal structure of hydrido(tricarbonyl)bis(triphenylphosphine)manganese(I), HMn(CO)3[P(C6H5)3]2.
- The Crystal Structure of Sodium Molybdate Dihydrate, Na2MoO4·2H2O
- Structural studies of commensurate Peierls state of Rb1.67[Pt(C2O4)2] 1.5H2O.
- N-allylprazole as a ligand. III. The crystal and molecular structure of (1-allyl-3,5-dimethylpyrazole)copper(I) chloride.
- Band-structure parameters of organic conductors, TSeT2Cl,TTT2I3, and TSeT2SCN.
- Single-component Magnetic Molecular Conductor [Fe(dmdt)_2](dmdt:dimethyltetrathiafulvalenedithiolate
- Dielectric Propersites of the Charge-transfer Complex of Phenothiazine and Trinitrobezene