Molecules, 2019 Single-component molecular conductors form an important class of materials showing exotic quantum phenomena, owing to the range of behavior they exhibit under physical stimuli.
Hengbo Cui +5 more
doaj +1 more source
Hydrogen bonding interactions in single component molecular conductors based on metal (Ni, Au) bis(dithiolene) complexes [PDF]
Dalton Transactions, 2020 Nickel (closed-shell) or gold (radical) bis(dithiolene) neutral complexes, functionalized with hydroxyethyl and thiazole moieties, afford hydrogen-bonded single component conductors.
Hachem, Hadi +3 more
openaire +3 more sources
Possible Spin-Density Wave on Fermi Arc of Edge State in Single-Component Molecular Conductors [Pt(dmdt)2] and [Ni(dmdt)2] [PDF]
Journal of the Physical Society of Japan, 2021 We construct three-orbital tight-binding models describing single-component molecular conductors [Pt(dmdt)$_2$] and [Ni(dmdt)$_2$] using first-principles calculations. We show that [Ni(dmdt)$_2$] is a Dirac nodal line system with highly one-dimensional edge states at the (001) edge, similar to [Pt(dmdt)$_2$], as demonstrated in prior studies.
Taiki Kawamura +3 more
openaire +2 more sources
Tight-Binding Model and Electronic Property of Dirac Nodal Line in Single-Component Molecular Conductor [Pt(dmdt)2] [PDF]
Journal of the Physical Society of Japan, 2020 Motivated by the recent discovery of Dirac nodal line in the single-component molecular conductor [Pt(dmdt)$_{2}$], we propose a three-orbital tight-binding model based on the Wannier fitting of the first-principles calculation, and address the problems of edge states, topological properties and magnetic susceptibility.
Kawamura, Taiki +4 more
openaire +2 more sources
Impact of Temperature on Seebeck Coefficient of Nodal Line Semimetal in Molecular Conductor
CrystalsWe examine the impact of temperature (T) on the Seebeck coefficient S, i.e., the T dependence of S for a single-component molecular conductor [Pd(dddt)2] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) with a half-filled band, where the coefficient is ...
Yoshikazu Suzumura
doaj +1 more source
Neutral, closed-shell nickel bis(2-alkylthio-thiazole-4,5-dithiolate) complexes as single component molecular conductors [PDF]
Dalton Transactions, 2018 Despite their closed-shell character, neutral bis(thiazole-4,5-dithiolate) nickel dithiolene complexes [Ni(RS-tzdt)2]0 (R = Me, Et) behave as single component conductors.
Hachem, Hadi +7 more
openaire +3 more sources
, 2022 Motivated by recent nuclear magnetic resonance experiments, we calculated the spin susceptibility, Knight shift, and spin-lattice relaxation rate ($1/T_{1}T$) of the single-component molecular conductor [Ni(dmdt)$_2$] using the random phase approximation in a multi-orbital Hubbard model describing the Dirac nodal line electronic system in this compound.
Kawamura, Taiki, Kobayashi, Akito
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Pediatric Blood &Cancer, EarlyView.ABSTRACT Pediatric gastroenteropancreatic neuroendocrine neoplasms (GEP‐NENs) are extremely rare and clinically heterogeneous. Management has largely been extrapolated from adult practice. This European Standard Clinical Practice Guideline (ESCP), developed by the EXPeRT network in collaboration with adult NEN experts, provides (adult) evidence ...
Michaela Kuhlen +23 more
wiley +1 more source
Novel Dirac Electron in Single-Component Molecular Conductor [Pd(dddt)$_2$]
, 2017 Dirac electrons in a single-component molecular conductor [Pd(dddt)$_2$] under pressure have been examined using a tight-binding model which consists of HOMO (Highest Occupied Molecular Orbital) and LUMO (Lowest Unoccupied Molecular Orbital) functions in four molecules per unit cell.
Kato, Reizo, Suzumura, Yoshikazu
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Electronic Structure of a Single-Component Molecular Conductor [Pd(dddt)2] (dddt = 5,6-dihydro-1,4-dithiin-2,3-dithiolate) under High Pressure [PDF]
Journal of the Physical Society of Japan, 2020 9 pages ...
Reizo Kato +4 more
openaire +2 more sources