We study numerically the electronic properties of one-dimensional systems with long-range correlated binary potentials. The potentials are mapped from binary sequences with a power-law power spectrum over the entire f...We study numerically the electronic properties of one-dimensional systems with long-range correlated binary potentials. The potentials are mapped from binary sequences with a power-law power spectrum over the entire frequency range, which is characterized by correlation exponent β. We find the localization length ζ increases withβ. At system sizes N →∞, there are no extended states. However, there exists a transition at a threshold ζ. Whenβ 〉 βc, we obtain ζ 〉 0. On the other hand, at finite system sizes, ζ≥ N may happen at certain β, which makes the system ＂metallic＂, and the upper-bound system size N＊ （β） is given.展开更多
A double-well potential model is established to explain the dielectric anomaly of ferroelectrics. The dielectric constant consists of two parts. One part is independent of the long-range correlation, following 1/T law...A double-well potential model is established to explain the dielectric anomaly of ferroelectrics. The dielectric constant consists of two parts. One part is independent of the long-range correlation, following 1/T law. The other part originates from the long-range correlation, and can be described by the correlation length well. The deviation from Curie-Weiss law in a small size sample originates from the decrease of the long-range correlation.展开更多
The melting behaviour of four typical core-shell structured 309-atom Ag-Rh bimetallic clusters, with decahedral and icosahedral geometric configurations, is investigated by using molecular dynamics simulation, based o...The melting behaviour of four typical core-shell structured 309-atom Ag-Rh bimetallic clusters, with decahedral and icosahedral geometric configurations, is investigated by using molecular dynamics simulation, based on the Sutton-Chen potential. The initial atomic configurations are obtained from semi-grand canonical ensemble Monte Carlo simulations. It is found that the melting point temperature Tm increases with the mole fraction of Rh in the bimetallic clusters, and Tm of Ag-Rh icosahedral clusters is higher than those of Ag-Rh decahedral clusters with the same Rh mole fraction. It is also found that the Ag atoms lie on the surface of Ag-Rh bimetallic clusters even after melting.展开更多
基金Project supported by the National Natural Science Foundation of China （Grants Nos. 10904074 and 10974097）, the National Key Basic Research Special Foundation of China （Grant No. 2009CB929501）, and the National Science Council （Grant No. 97-2112- M-032-003-MY3）.
文摘We study numerically the electronic properties of one-dimensional systems with long-range correlated binary potentials. The potentials are mapped from binary sequences with a power-law power spectrum over the entire frequency range, which is characterized by correlation exponent β. We find the localization length ζ increases withβ. At system sizes N →∞, there are no extended states. However, there exists a transition at a threshold ζ. Whenβ 〉 βc, we obtain ζ 〉 0. On the other hand, at finite system sizes, ζ≥ N may happen at certain β, which makes the system ＂metallic＂, and the upper-bound system size N＊ （β） is given.
基金Project supported by the Climbing Program of Foundamental Research of China
文摘A double-well potential model is established to explain the dielectric anomaly of ferroelectrics. The dielectric constant consists of two parts. One part is independent of the long-range correlation, following 1/T law. The other part originates from the long-range correlation, and can be described by the correlation length well. The deviation from Curie-Weiss law in a small size sample originates from the decrease of the long-range correlation.
基金Supported by the National Natural Science Foundation of China under Nos 20236010 and 20476004, and the National Basic Research Programme of China under Grant No G2003CB615807.
文摘The melting behaviour of four typical core-shell structured 309-atom Ag-Rh bimetallic clusters, with decahedral and icosahedral geometric configurations, is investigated by using molecular dynamics simulation, based on the Sutton-Chen potential. The initial atomic configurations are obtained from semi-grand canonical ensemble Monte Carlo simulations. It is found that the melting point temperature Tm increases with the mole fraction of Rh in the bimetallic clusters, and Tm of Ag-Rh icosahedral clusters is higher than those of Ag-Rh decahedral clusters with the same Rh mole fraction. It is also found that the Ag atoms lie on the surface of Ag-Rh bimetallic clusters even after melting.
