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Plasmons and Interband Transitions of Ca$_{11}$Sr$_3$Cu$_{24}$O$_{41}$ investigated by Electron Energy-Loss Spectroscopy
Plasmons and Interb Transitions
2010/11/24
Electron energy-loss spectroscopy studies have been performed in order to get a deeper insight
into the electronic structure and elementary excitations of the two - leg ladder system
Ca11Sr3Cu24O41....
铜铝合金价电子结构的计算
余氏理论 铜铝合金 价电子结构
2012/11/26
采用余氏理论计算了铜铝合金在不同时效作用下析出相价电子结构，通过对键强的分析，从而发现相析出过程中合金强度逐渐得到强化.
Simulation of structural phase transitions in NiTi
Simulation of structural phase transitions NiTi
2010/11/24
By means of molecular-dynamics simulations, temperature driven diffusionless structural phase
transitions in equi- and nearly equiatomic ordered nickel-titanium alloys were investigated. For this pur...
New structural model for GeO2/Ge interface: A first-principles study
New structural model for GeO2/Ge interface first-principles study
2010/11/24
First-principles modeling of a GeO2/Ge(001) interface reveals that sixfold GeO2, which is derived from cristobalite and is different from rutile, dramatically reduces the lattice mismatch at the inter...
Negative refraction in natural ferromagnetic metals
Negative refraction natural ferromagnetic metals
2010/11/23
It is generally believed that Veselago’s criterion for negative refraction cannot be fulfilled in natural materials. However, considering imaginary parts of the permittivity (") and permeability(μ) an...
Ab-initio calculations for the beta-tin diamond transition in Silicon: comparing theories with experiments
Ab-initio calculations for the beta-tin diamond transition Silicon:
2010/11/19
We investigate the pressure-induced metal-insulator transition from diamond to β-tin in bulk Silicon,using quantum Monte Carlo (QMC) and density functional theory (DFT) approaches. We show
that it is...
Theory of Valley-Density Wave and Hidden Order in Iron-Pnictides
Theory of Valley-Density Wave Iron-Pnictides
2010/11/19
In the limit of perfect nesting, the physics of iron-pnictides is governed by the density wave
formation at the zone-edge vector M. At high energies, various spin- (SDW), charge- (CDW),
orbital/pock...
New Hydrocarbon Superconductor on the Verge of Metal-Insulator Transition: Electronic Structures and Magnetic Properties of K3picene
New Hydrocarbon Superconductor Verge of Metal-Insulator Transition: Electronic Structures Magnetic Properties of K3picene
2010/11/22
We have investigated the electronic structures and magnetic properties of of K3picene, which
is a first hydrocarbon superconductor with high transition temperature Tc=18K. We have shown
that the met...
Half-metallic Antiferromagnet Sheets in Sr4Sc2O6CrFeAs2 and its Bulk Form
Half-metallic Antiferromagnet Sheets Sr4Sc2O6CrFeAs2 Bulk Form
2010/11/22
We reveal by rst-principles calculations that in iron pnictide Sr4Sc2O6CrFeAs2 the twodimensional CrFeAs2 layers exhibit a robust band structure of half-metallic antiferromagnet
(HMAFM). Due to the ...
Electronic structure of an antiferromagnetic metal: CaCrO3
Electronic structure antiferromagnetic metal: CaCrO3
2010/11/19
We report on the electronic structure of the perovskite oxide CaCrO3 using valence-band, corelevel,and Cr 2p − 3d resonant photoemission spectroscopy (PES). Despite its antiferromagnetic order, ...
Orbital Order, Metal Insulator Transition, and Magnetoresistance-Effect in the two-orbital Hubbard model
Orbital Order Metal Insulator Transition Magnetoresistance-Effect
2010/11/19
We study the effects of temperature and magnetic field on a two-orbital Hubbard model within
dynamical mean field theory. We focus on the quarter filled system, which is a special point in the phase ...
A Microscopic View on the Mott transition in Chromium-doped V2O3
Microscopic View Mott transition Chromium-doped V2O3
2010/11/17
V2O3 is the prototype system for the Mott transition, one of the most fundamental phenom-
ena of electronic correlation. Temperature, dop-ing or pressure induce a metal to insulator transi-tion (MIT)...
Chemical Raman Enhancement of Organic Adsorbates on Metal Surfaces
Chemical Raman Enhancement Organic Adsorbates Metal Surfaces
2010/11/19
Using a combination of rst-principles theory and experiments, we provide a quantitative explanation for chemical contributions to surface-enhanced Raman spectroscopy for a well-studied organic molecu...
Temporal behavior of the inverse spin Hall voltage in a magnetic insulator-nonmagnetic metal structure
Temporal behavior inverse spin Hall voltage magnetic insulator-nonmagnetic metal structure
2010/11/18
The time dependence of an inverse spin Hall (iSHE) voltage in a magnetic insulator (yttrium
iron garnet, YIG)-nonmagnetic metal (platinum, Pt) structure is studied. A flow of spin-polarized electrons...
Influenced of Fe buffer thickness on the crystalline quality and the transport properties of Fe/Ba(Fe1-xCox)2As2 bilayers
buffer thickness crystalline quality transport properties
2010/11/17
The implementation of an Fe buffer layer is a promising way to obtain epitaxial growth of Co-doped BaFe2As2 (Ba-122). However, the crystalline quality and the superconducting properties of Co-doped Ba...