Partition functional and thermodynamic properties of the infinite-dimensional Hubbard model.

گذار مات رسانا-نارسانا در مدل هابارد دوبعدی نیمه پر

We study the Mott transition in the two dimensional Hubbard model by using the variational cluster approximation. The transition potential obtained is roughly Uc ≈ 2 and 6 for square and triangular lattices, respectively. A comparison between results of this approximation and other quantum cluster methods is presented. Our zero-temperature calculation at strong coupling show that the transition...

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  We review various ways to express the partition function of the single-band Hubard model as a path integral. The emphasis is made on the derivation of the action in the integrand of the path integral and the results obtained from this approach are discussed only briefly.   Since the single-band Hubbard model is a pure fermionic model on the lattice and its Hamiltonian is a polynomial in creat...

Hubbard model at infinite dimensions: Thermodynamic and transport properties.

We present results on thermodynamic quantities, resistivity and optical conductivity for the Hubbard model on a simple hypercubic lattice in infinite dimensions. Our results for the paramagnetic phase display the features expected from an intuitive analysis of the one-particle spectra and substantiate the similarity of the physics of the Hubbard model to those of heavy fermion systems. The calc...

STATISTICAL-MECHANICAL CALCULATION OF THERMODYNAMIC PROPERTIES OF ALBITE USING A TWO-DIMENSIONAL MODEL

Structural and thermodynamic properties of Alumina

We have investigated the electronic structure and thermodynamic properties of supercell of the -Al2O3 by first-principles calculation in framework of density functional theory (DFT) and full potential linearized augmented plane wave (FP-LAPW) with generalized gradient approximation (GGA) and by quasi-harmonic Debye model. Our calculated value for direct band gap of α-Al2O3 is 7.2 eV which i...