Strained tetragonal states and Bain paths in metals
Strained tetragonal states and Bain paths in metals
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DOI：
10.1103/physrevlett.78.3892
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发表时间：
1997-05-19
影响因子：
8.6
通讯作者：
Scheffler, M
中科院分区：
文献类型：
--
作者：
Alippi, P;Marcus, PM;Scheffler, M
材料的两个相之间的四重态路径，例如bcc和fee，称为疼痛路径。两个简单的疼痛路径可以定义在特殊的施加应力，其中之一直接适用于应变外延膜。每条路径都深入到非线性弹性的范围内，并达到结构固有不稳定的结构参数范围。在这封信中，我们确定和分析的一般性质，这些路径的密度泛函理论。特殊的例子包括钒、钴和铜，并且外延路径用于识别与体相唯一相关的外延膜。
Paths of tetragonal states between two phases of a material, such as bcc and fee, are called Pain paths. Two simple Pain paths can be defined in terms of special imposed stresses, one of which applies directly to strained epitaxial films. Each path goes far into the range of nonlinear elasticity and reaches a range of structural parameters in which the structure is inherently unstable. In this Letter we identify and analyze the general properties of these paths by density functional theory. Special examples include vanadium, cobalt, and copper, and the epitaxial path is used to identify an epitaxial film as related uniquely to a bulk phase.