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	Equilibrium Geometries, Stabilities, and Electronic Properties of the Bimetallic Ag-2-doped Si-n (n=1-11) Clusters: A Density-Functional Investigation 期刊论文 ZEITSCHRIFT FUR NATURFORSCHUNG SECTION A-A JOURNAL OF PHYSICAL SCIENCES, 2011, 卷号: 66, 期号: 5, 页码: 353-362 作者: Zhao, Ya-Ru; Kuang, Xiao-Yu; Wang, Su-Juan; Li, Yan-Fang; Lu, Peng 收藏 \| 浏览/下载：10/0 \| 提交时间：2021/02/02 Ag-Si Cluster Geometric Configuration Density Function Method
	First-principles investigation of the electronic structure and magnetism of Heusler alloys CoMnSb and Co2MnSb 期刊论文 PHYSICA B-CONDENSED MATTER, 2011, 卷号: 406, 期号: 8, 页码: 1368-1373 作者: Huang, H. M.; Luo, S. J.; Yao, K. L. 收藏 \| 浏览/下载：9/0 \| 提交时间：2021/02/02 First-principles Magnetic properties Half-metallic properties
	Equilibrium Geometries, Stabilities, and Electronic Properties of the Bimetallic Ag(2)-doped Si(n) (n=1-11) Clusters: A Density-Functional Investigation 期刊论文 Zeitschrift Fur Naturforschung Section a-a Journal of Physical Sciences, 2011, 卷号: 66, 期号: 5, 页码: 353-362 Y. R. Zhao; X. Y. Kuang; S. J. Wang; Y. F. Li; P. Lu 收藏 \| 浏览/下载：11/0 \| 提交时间：2012/04/13 Ag-Si Cluster Geometric Configuration Density Function Method laser-absorption spectroscopy flight mass-spectroscopy supersonic molecular-beam small silicon clusters gold silicides copper silicide states silver ions
	Ab initio investigation of the noncollinear magnetic structure of CeFeAsO 期刊论文 Physical Review B, 2011, 卷号: 84, 期号: 11 J. Liu; B. Luo; Z. Y. Sun; H. H. Fu; K. L. Yao 收藏 \| 浏览/下载：15/0 \| 提交时间：2012/04/13 layered quaternary compound phase-diagram superconductivity smfeaso1-xfx instability
	First-principles investigation of the electronic structure and magnetism of Heusler alloys CoMnSb and Co(2)MnSb 期刊论文 Physica B-Condensed Matter, 2011, 卷号: 406, 期号: 8, 页码: 1368-1373 H. M. Huang; S. J. Luo; K. L. Yao 收藏 \| 浏览/下载：16/0 \| 提交时间：2012/04/13 First-principles Magnetic properties Half-metallic properties half-metallic ferrimagnetism thin-films co(2)mnz z ga ge al si sn prediction phase
	Surface properties of 3d transition metals 期刊论文 Philosophical Magazine, 2011, 卷号: 91, 期号: 27, 页码: 3627-3640 M. P. J. Punkkinen; Q. M. Hu; S. K. Kwon; B. Johansson; J. Kollar; L. Vitos 收藏 \| 浏览/下载：12/0 \| 提交时间：2012/04/13 surface relaxation surface energy surface stress magnetic transition metals density functional theory full charge-density initio molecular-dynamics total-energy calculations augmented-wave method ab-initio electronic-structure atomic volume work function basis-set relaxation
	First principles calculations of Co-doped zinc-blende ZnO magnetic semiconductor 期刊论文 Physica B-Condensed Matter, 2010, 卷号: 405, 期号: 6, 页码: 1447-1451 J. Zhang; K. L. Yao; Z. L. Liu; G. Y. Gao 收藏 \| 浏览/下载：15/0 \| 提交时间：2012/04/13 Electronic structure First-principles Diluted magnetic semiconductor room-temperature ferromagnetism electrical spin injection electronic-structure transition films
	Structural, Electronic, and Magnetic Properties of Gold Cluster Anions Doped with Zinc: AunZn- (2 <= n <= 10) 期刊论文 JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 卷号: 113, 期号: 51, 页码: 14022-14028 作者: Wang, Huai-Qian; Kuang, Xiao-Yu; Li, Hui-Fang 收藏 \| 浏览/下载：0/0 \| 提交时间：2021/02/02
	Structural, Electronic, and Magnetic Properties of Gold Cluster Anions Doped with Zinc: Au(n)Zn(-) (2 <= n <= 10) 期刊论文 Journal of Physical Chemistry A, 2009, 卷号: 113, 期号: 51, 页码: 14022-14028 H. Q. Wang; X. Y. Kuang; H. F. Li 收藏 \| 浏览/下载：13/0 \| 提交时间：2012/04/13 effective core potentials density-functional calculations ion mobility measurements molecular calculations photoelectron-spectroscopy nanostructures transition oxidation cations shape
	First principles study on the electronic structure of the two chain compounds of M(N-3)(2) (HCOO) (CH3)(2)NH2 (M = Fe and Co) 期刊论文 Solid State Communications, 2008, 卷号: 145, 期号: 1-2, 页码: 43-47 J. Zhang; K. L. Yao; Z. L. Liu; G. Y. Gao; X. C. Wang; Y. L. Li 收藏 \| 浏览/下载：14/0 \| 提交时间：2012/04/13 organic magnet magnetic semiconductors first principles electronic structure coupled organic ferromagnets crystal-structure magnetic-properties complexes azido model

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