Quantum mechanical simulation of nanosized metal-oxide-semiconductor field-effect transistor using empirical pseudopotentials: A comparison for charge density occupation methods

The atomistic pseudopotential quantum mechanical calculations are used to study the transport in million atom nanosized metal-oxide-semiconductor field-effect transistors. In the charge self-consistent calculation, the quantum mechanical eigenstates of closed systems instead of scattering states of open systems are calculated. The question of how to use these eigenstates to simulate a nonequilibrium system, and how to calculate the electric currents, is addressed. Two methods to occupy the electron eigenstates to yield the charge density in a nonequilibrium condition are tested and compared. One is a partition method and another is a quasi-Fermi level method. Two methods are also used to evaluate the current: one uses the ballistic and tunneling current approximation, another uses the drift-diffusion method. (C) 2009 American Institute of Physics. [doi:10.1063/1.3248262]

Magnetic-field-induced nonthermal occupation of higher subbands in a three-barrier tunneling structure

When injected electrons in a quantum well first experience an intersubband relaxation process before their escaping by tunneling through a double-barrier structure behind, the magnetic suppression of intersubband LO or LA phonon scattering can give rise to a noticeable nonthermal occupation in higher-lying subbands. That is clearly verified by the relative intensity ratio of the interband photoluminescence spectra for E-2-HH1 and E-1-HH1 transitions. The observed phenomenon may provide an effective method for controlling intersubband scattering rate, a central issue in so-called quantum cascade lasers, and facilitating the population inversion between subbands in quantum wells.

Occupation modulation of higher subbands in a three-barrier tunnelling structure with a magnetic field

We verify that the magnetic suppression of intersubband LO or LA phonon scattering can give rise to a noticeable nonthermal occupation in higher-lying subbands. This is clearly determined by the relative intensity ratio of the interband photoluminescence spectra for the E-2 - HH1 and E-1 - HH1 transitions. The observed phenomenon may provide an effective method to control the intersubband scattering rate, which is a key factor of the so-called quantum cascade lasers. This is helpful for the population inversion between both the subbands in quantum wells.

Effect of partial site occupation on the magnetic properties of Nd2Fe17-xSix by supercell calculation

The magnetic properties of the Nd2Fe17-xSix intermetallic compounds are studied by means of spin-polarized supercell calculations in which the selected sites of substitution are close to the situations in real samples. It is shown that the average Fe moment increases with x and saturates near x = 3. This correlates quite well with the experimental dependence of Te on x. The difference between supercell and unit cell calculations are pointed out and the influence of Si atoms on the density of states of the nearby Fe atoms is emphasized. (C) 1997 American Institute of Physics.

A STUDY OF SITE OCCUPATION OF EU-3+ IN ME2Y8(SIO4)6O2 (ME=MG, CA, SR)

Alkaline earth (Mg, Ca. Sr) yttrium silicate oxyapatites doped with Eu3+ show red luminescence with comparable intensity. In this system of phosphors, the Eu3+ ions enter 4f sites and 6h sites simultaneously according to the fluorescence spectra, in which

缺陷连续统理论及其在本构方程研究中的应用 Ⅱ.缺陷的规范场理论

详细评述了缺陷连续统的规范场理论,该理论是近代材料科学和固体力学中新发展起来颇有意义的一个分支。首先强调了Noether定理及其逆定理在构造缺陷规范场理论中的重要性。同时基于Yang-Mills普适规范场构造,包括对SO(3)T(3)群的最小替换和最小耦合原理,系统地介绍了Golebiewska-Lasota,Edelen,Kadic和Edelen等人的原始性工作及他们的贡献。本文表明,Kadic和Edelen的理论是基于一组缺陷动力学的线性连续性方程发展起来的,不能和关于缺陷场的现有几何理论完全协调起来。考虑到这一点,本文提供了另一种方法来建立非线性弹性规范场的相应理论,这里考虑了Poincaré规范群SO(3)T(3).采用类似于研究引力场理论的Kibble方法,导出了缺陷连续统的拉氏密度。非完整坐标变换和非欧联络系数在数学上完全等价于子Poincaré群SO(3)T(3)的规范场。因此,本文的规范场理论和4维物质流形的缺陷场的非线性几何理论是完全一致的,并证明在弱缺陷条件下,可以简化到Kadic和Edelen的结果。

Energy spectrum of fermionized bosonic atoms in optical lattices

We investigate the energy spectrum of fermionized bosonic atoms, which behave very much like spinless noninteracting fermions, in optical lattices by means of the perturbation expansion and the retarded Green's function method. The results show that the energy spectrum splits into two energy bands with single-occupation; the fermionized bosonic atom occupies nonvanishing energy state and left hole has a vanishing energy at any given momentum, and the system is in Mott-insulating state with a energy gap. Using the characteristic of energy spectra we obtained a criterion with which one can judge whether the Tonks-Girardeau (TG) gas is achieved or not.