金刚石(001)面在Cu多种覆盖度下的稳定构型与电子特性

金刚石表面的电子特性很容易受到其表面覆盖物的影响,而目前表面稳定、性能优良的表面覆盖层依然处于研究与寻找中。本文研究的过渡金属Cu不仅在半导体微加工中被广泛使用,更由于过渡金属Cu与金刚石都具有优异的散热性能,因此Cu覆盖金刚石已经超出寻常电极使用的意义,其金属-半导体结构更具有表面修饰剪裁电子特性的功能。文中通过使用密度泛函模拟方法,研究了Cu的不同覆盖度(0.25 ML、0.5 ML和1 ML)下金刚石(001)表面的单原子吸附能、稳定构型以及稳定体系的能带结构特性。结果表明,各种覆盖度下的Cu原子在金刚石(001)表面具有较稳定的表面吸附构型,并且过渡金属Cu的覆盖使得金刚石(001)表面产生了约为-0.5~-0.3 eV的负电子亲和势,肖特基势垒高度约为-0.16~0.04 eV,这些理论结果与实验结果基本一致。因此过渡金属Cu作为表面覆盖层在金刚石基电子发射器方面具有重要的应用价值。     

High-K isomer and the rotational properties in the odd-Z neutron-rich nucleus ~(163)Eu

The newly observed isomer and ground-state band in the odd-Z neutron-rich rare-earth nucleus 163 Eu are investigated by using the cranked shell model(CSM), with pairing treated by the particle-number conserving(PNC)method. This is the first time detailed theoretical investigations are performed of the observed 964(1) keV isomer and ground-state rotational band in ~(163) Eu. The experimental data are reproduced very well by the theoretical results. The configuration of the 964(1) keV isomer is assigned as the three-particle state 13~-/2(v7~+/2 [633]v1~-/2[521]π5~+/2[413]).More low-lying multi-particle states are predicted in ~(163) Eu. Due to its significant effect on the nuclear mean field, the high-order ε6 deformation plays an important role in the energy and configuration assignment of the multi-particle states. Compared to its neighboring even-even nuclei ~(162) Sm and ~(164) Gd,there is a 10%~15% increase of J~((1)) of the oneparticle ground-state band in ~(163) Eu. This is explained by the pairing reduction due to the blocking of the nucleon on the proton π5~+/2 [413] orbital in ~(163) Eu.