Studies of FeMn/Co/Cu(001) films using photoemission electron microscopy and surface magneto-optic Kerr effect

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	Studies of FeMn/Co/Cu(001) films using photoemission electron microscopy and surface magneto-optic Kerr effect
	Won, C ; Wu, YZ ; Zhao, HW ; Scholl, A ; Doran, A ; Kim, W ; Owens, TL ; Jin, XF ; Qiu, ZQ
刊名	PHYSICAL REVIEW B
	2005
卷号	71 期号:2
关键词	FIELD ISING-MODEL EXCHANGE BIAS FINITE-SIZE ALLOYS SYSTEMS STATE
ISSN号	1098-0121
通讯作者	Won, C (reprint author), Univ Calif Berkeley, Dept Phys, Berkeley, CA 94720 USA.
中文摘要	We present an ab initio investigation of water adsorption on ordered hydroxylated silica surfaces, using the density functional theory within the ultrasoft pseudopotentials and generalized-gradient approximation. The (100) and (111) surfaces of the hydroxylated cristobalite are used as substrates to adsorb water clusters and overlayers. Water adsorbs through hydrogen bonds formed between water and surface hydroxyl groups on the beta(alpha)-cristobalite (100) surface. A large enhancement of the hydrogen bonding in the adsorbed water dimer is observed, which can be inferred from the shortened hydrogen-bond (H bond) length, the vibrational spectra from the molecular dynamics simulation and the redistribution of electron density. At one monolayer (ML) coverage, a "tessellation ice," with characteristic quadrangular and octagonal hydrogen-bonded water rings, is formed. It has two types of H bonds and can exist on two different adsorption sites with two different OH orderings in a surface supercell. Our study is further extended to the beta-cristobalite (111) surface. Based on these studies, we find that the water-silica bond, which comprises several H bonds, is usually stronger than other associative water-surface interactions. The H bonds between water and surface usually differ in strength-and hence, in vibrational spectra-from those between adsorbed water molecules. Because the (100) and (111) surfaces sustain different silanol groups (geminal and isolated silanols), a well-defined two-dimensional tessellation ice phase can be observed only on the cristobalite (100) surface. On beta-cristobalite (111) surface, however, isolated water molecules, hydrogen-bonded to the surface hydroxyls, are formed, even at 1 ML coverage.
收录类别	SCI
语种	英语
公开日期	2013-09-24
内容类型	期刊论文
源URL	[http://ir.iphy.ac.cn/handle/311004/53672]
专题	物理研究所_物理所公开发表论文_物理所公开发表论文_期刊论文
推荐引用方式 GB/T 7714	Won, C,Wu, YZ,Zhao, HW,et al. Studies of FeMn/Co/Cu(001) films using photoemission electron microscopy and surface magneto-optic Kerr effect[J]. PHYSICAL REVIEW B,2005,71(2).
APA	Won, C.,Wu, YZ.,Zhao, HW.,Scholl, A.,Doran, A.,...&Qiu, ZQ.(2005).Studies of FeMn/Co/Cu(001) films using photoemission electron microscopy and surface magneto-optic Kerr effect.PHYSICAL REVIEW B,71(2).
MLA	Won, C,et al."Studies of FeMn/Co/Cu(001) films using photoemission electron microscopy and surface magneto-optic Kerr effect".PHYSICAL REVIEW B 71.2(2005).