Biomaterial Database

Magnetic instability and pair binding in aromatic hydrocarbon superconductors. 2012

Zhongbing Huang, and Chao Zhang, and Hai-Qing Lin

Beijing Computational Science Research Center , Beijing 100084, China. huangzb@hubu.edu.cn

Understanding magnetism and electron correlation in many unconventional superconductors is essential to explore mechanism of superconductivity. In this work, we perform a systematic numerical study of the magnetic and pair binding properties in recently discovered polycyclic aromatic hydrocarbon (PAH) superconductors including alkali-metal-doped picene, coronene, phenanthrene, and dibenzopentacene. The π-electrons on the carbon atoms of a single molecule are modelled by the one-orbital Hubbard model, and the energy difference [Formula: see text] between carbon atoms with and without hydrogen bonds is taking into account. We demonstrate that the spin polarized ground state is realized for charged molecules in the physical parameter regions, which provides a reasonable explanation of local spins observed in PAHs. In alkali-metal-doped dibenzopentacene, our results show that electron correlation may produce an effective attraction between electrons for the charged molecule with one or three added electrons.

UI	MeSH Term	Description	Entries
D008280	Magnetics	The study of MAGNETIC PHENOMENA.	Magnetic
D008672	Metals, Alkali	Metals that constitute group 1(formerly group IA) of the periodic table. They are the most strongly electropositive of the metals. Note that HYDROGEN is not considered an alkali metal even though it falls under the group 1 heading in the periodic table.	Alkali Metal,Alkali Metals,Group 1 Element,Group 1 Elements,1 Element, Group,Element, Group 1,Elements, Group 1,Metal, Alkali
D008958	Models, Molecular	Models used experimentally or theoretically to study molecular shape, electronic properties, or interactions; includes analogous molecules, computer-generated graphics, and mechanical structures.	Molecular Models,Model, Molecular,Molecular Model
D009942	Organometallic Compounds	A class of compounds of the type R-M, where a C atom is joined directly to any other element except H, C, N, O, F, Cl, Br, I, or At. (Grant & Hackh's Chemical Dictionary, 5th ed)	Metallo-Organic Compound,Metallo-Organic Compounds,Metalloorganic Compound,Organometallic Compound,Metalloorganic Compounds,Compound, Metallo-Organic,Compound, Metalloorganic,Compound, Organometallic,Compounds, Metallo-Organic,Compounds, Metalloorganic,Compounds, Organometallic,Metallo Organic Compound,Metallo Organic Compounds
D011789	Quantum Theory	The theory that the radiation and absorption of energy take place in definite quantities called quanta (E) which vary in size and are defined by the equation E	Quantum Theories,Theories, Quantum,Theory, Quantum
D002244	Carbon	A nonmetallic element with atomic symbol C, atomic number 6, and atomic weight [12.0096; 12.0116]. It may occur as several different allotropes including DIAMOND; CHARCOAL; and GRAPHITE; and as SOOT from incompletely burned fuel.	Carbon-12,Vitreous Carbon,Carbon 12,Carbon, Vitreous
D004553	Electric Conductivity	The ability of a substrate to allow the passage of ELECTRONS.	Electrical Conductivity,Conductivity, Electric,Conductivity, Electrical
D006841	Hydrocarbons, Aromatic	Organic compounds containing carbon and hydrogen in the form of an unsaturated, usually hexagonal ring structure. The compounds can be single ring, or double, triple, or multiple fused rings.	Aromatic Hydrocarbon,Aromatic Hydrocarbons,Hydrocarbon, Aromatic
D006860	Hydrogen Bonding	A low-energy attractive force between hydrogen and another element. It plays a major role in determining the properties of water, proteins, and other compounds.	Hydrogen Bonds,Bond, Hydrogen,Hydrogen Bond
D018360	Crystallography, X-Ray	The study of crystal structure using X-RAY DIFFRACTION techniques. (McGraw-Hill Dictionary of Scientific and Technical Terms, 4th ed)	X-Ray Crystallography,Crystallography, X Ray,Crystallography, Xray,X Ray Crystallography,Xray Crystallography,Crystallographies, X Ray,X Ray Crystallographies