Crystal and band electronic structures of an organic salt with the first three-dimensional radical-cation donor network, (BEDT-TTF)Ag4(CN)5

Geiser, U.; Wang, Hau H.; Gerdom, Larry E.; Firestone, Millicent A.; Sowa, L. M.; Williams, Jack M.

doi:10.1021/ja00312a106

Cited by 51 publications

(19 citation statements)

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“…To the best of our knowledge this is the first example of a metallic BEDT-TTF salt with a doubly negatively·charged counterion whose molecular structure has been unambiguously characterized. The solids with 'polymeric' anions [2,3,22,23] with charges distributed over several metal centres are considered as a separate group, because the charge density on a special site in the counterion is difficult to determine.…”

Section: Resultsmentioning

confidence: 99%

BEDT-TTF salts with square platinates(II) as counterions: [BEDT-TTF]4[Pt(C2O4)2], A new organic metal

et al. 1989

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Section: Resultsmentioning

confidence: 99%

BEDT-TTF salts with square platinates(II) as counterions: [BEDT-TTF]4[Pt(C2O4)2], A new organic metal

et al. 1989

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“…A constant current (0.5¯A) was passed between the two platinum electrodes over about one month. Hexagonal plate-shaped single crystals of 2 were obtained together with other analogous salts, namely (ET)Ag 4 (CN) 5 (greenish rhombohedral blocks), 19 ¡¤-(ET) 2 Ag(CN) 2 (black rods), 20 and ¬-(ET) 2 Ag(CN) 2 ¢H 2 O (black spear-like plates).…”

Section: Preparation Of Single Crystals Ofmentioning

confidence: 99%

Design and Preparation of a Quantum Spin Liquid Candidate κ-(ET)2Ag2(CN)3 Having a Nearby Superconductivity

Hiramatsu

Yoshida

Saito

et al. 2017

Bulletin of the Chemical Society of Japan

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medal with purple ribbon awarded by the Government of Japan (2009). He has been devoted to the development of molecular compounds with π-systems bearing exotic functionality. AbstractSimilar to the first quantum spin liquid (QSL) candidate, ¬-(ET) 2 Cu 2 (CN) 3 (1), newly prepared ¬-(ET) 2 Ag 2 (CN) 3 (2) is a dimer Mott insulator with a QSL ground state at ambient pressure and exhibits metallic and superconducting states next to the QSL state under pressure, where ET is bis(ethylenedithio)tetrathiafulvalene. The packing of the ET dimer, which corresponds to a single spin site (S = 1/2), in 2 is similar to that in 1. Salt 2 afforded a two-dimensional equilateral triangular spin lattice having strong geometrical spin frustration (t¤/t = 0.967) similar to 1 (t¤/t = 1.09), where t and t¤ are the interdimer transfer interactions. The geometric relationship between the spin site and the opening in the anion layer in 2 is considerably different from that in 1, resulting in more dispersed packing of ET dimers, narrower bandwidth W, and larger on-site Coulomb repulsion energy U for 2 than 1. As a consequence, 2 has a higher electron correlation U/W, more robust QSL state for wider pressure range and is allocated far away from the itinerant region compared to those of 1. The narrower bandwidth is consistent with a higher superconducting critical temperature for 2 than 1 under pressure.

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“…We present here the molecular material (ET)Ag 4 (CN) 5 [25] as a prime example of the 3D diamond lattice. It possesses the extremely high-symmetry crystal structure of the orthorhombic Fddd lattice with the lattice constants: a = 13.215(9) Å, b = 19.4783(1) Å, and c = 19.6506(1) Å.…”

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Molecular diamond lattice antiferromagnet as a Dirac semimetal candidate

et al. 2019

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The ground state of a molecular diamond-lattice compound (ET)Ag 4 (CN) 5 is investigated by the magnetization and nuclear magnetic resonance spectroscopy. We found that the system exhibits antiferromagnetic long-range ordering with weak ferromagnetism at a high temperature of 102 K owing to the strong electron correlation. The spin susceptibility is well fitted into the diamond-lattice Heisenberg model with a nearest neighbor exchange coupling of 230 K, indicating the less frustrated interactions. The transition temperature elevates up to ∼195 K by applying pressure of 2 GPa, which records the highest temperature among organic molecular magnets. The first-principles band calculation suggests that the system is accessible to a three-dimensional topological semimetal with nodal Dirac lines, which has been extensively searched for a half-filling diamond lattice.A half-filling diamond lattice has been recently attracted great interests as an example of three-dimensional (3D) Dirac semimetal with the linearly-crossing band dispersion near the Fermi level [1-4] along with the appealing example including Na 3 Bi and Cd 3 As 2 [5,6]. The system can be a strong topological insulator in the presence of spin-orbit coupling as a 3D analogue to graphene [1]. Despite the popular crystal structure, the material with the half-filled band has been known only in a putative material BiO 2 [3]. In the counterpart insulating system, the frustrated local moment on the diamond lattice has been extensively studied as a spin liquid candidate [7][8][9]. A typical example is the magnetic spinel (AB 2 C 4 ) with the A site diamond lattice [10][11][12][13][14][15][16][17][18], where the properties of the disordered state are under intense debate. A (topological) Mott transition is expected to occur from a spin disordered phase to a Dirac semimetal phase by tuning the electron correlation [2,7].Organic molecular compounds have provided the platform for investigating the pressure-tuned Mott transition for the soft crystal. The well-studied Mott-Hubbard systems such as κ-(ET) 2 X and Z[Pd(dmit) 2 ] 2 possess a quasi-two-dimensional triangular lattice of the molecular dimer unit [19][20][21] owing to the anisotropic intermolecular interactions between planar molecules. Thus there are only a few example of 3D molecular compounds including the diamond lattice, except for the inorganic-organic hybrid system such as Li(TCNE) and Cu(DCNQI) 2 [22][23][24], and no example is known for the half-filling diamond lattice consisting of organic molecules. The material search for 3D molecular compounds would be important for giving high-temperature magnets and superconductors.We present here the molecular material (ET)Ag 4 (CN) 5 [25] as a prime example of the 3D diamond lattice. It possesses the extremely high-symmetry crystal structure of the orthorhombic Fddd lattice with the lattice constants: a = 13.215(9) Å, b = 19.4783(1) Å, and c = 19.6506(1) Å. Each monovalent ET molecule is surrounded by the honeycomb framework of the closed-shell polyanion [Ag 4 (C...

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Crystal and band electronic structures of an organic salt with the first three-dimensional radical-cation donor network, (BEDT-TTF)Ag4(CN)5

Cited by 51 publications

References 0 publications

BEDT-TTF salts with square platinates(II) as counterions: [BEDT-TTF]4[Pt(C2O4)2], A new organic metal

BEDT-TTF salts with square platinates(II) as counterions: [BEDT-TTF]4[Pt(C2O4)2], A new organic metal

Design and Preparation of a Quantum Spin Liquid Candidate κ-(ET)2Ag2(CN)3 Having a Nearby Superconductivity

Molecular diamond lattice antiferromagnet as a Dirac semimetal candidate

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