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首页> 外文期刊>Phase Transitions, A Multinational Journal >Electronic structure and magnetic properties of X2YZ (X = Co, Y = Mn, Z = Ge, Sn) type Heusler compounds: a first principle study
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Electronic structure and magnetic properties of X2YZ (X = Co, Y = Mn, Z = Ge, Sn) type Heusler compounds: a first principle study

机译:X 2 YZ(X = Co,Y = Mn,Z = Ge,Sn)X型电子结构和磁性性质Heusler化合物:首要原理研究

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We performed the structure optimization followed by the calculation of electronic structure and magnetic properties on Co2MnGe and Co2MnSn. The structure optimization was based on generalized gradient approximation exchange correlation and full potential linearized augmented plane wave (FP-LAPW) method. The calculation of electronic structure was based on FP-LAPW method using local spin density approximation. We have studied the electronic structure and magnetic properties. The calculated density of states and band structures shows the half-metallic ferromagnets character of Co2MnGe and Co2MnSn.View full textDownload full textKeywordsGGA, half-metallicity, DOS and band structureRelated var addthis_config = { ui_cobrand: "Taylor & Francis Online", services_compact: "citeulike,netvibes,twitter,technorati,delicious,linkedin,facebook,stumbleupon,digg,google,more", pubid: "ra-4dff56cd6bb1830b" }; Add to shortlist Link Permalink http://dx.doi.org/10.1080/01411594.2012.661860
机译:我们进行了结构优化,然后计算了Co 2 MnGe和Co 2 MnSn的电子结构和磁性能。结构优化基于广义梯度近似交换相关性和全势线性化增强平面波(FP-LAPW)方法。电子结构的计算基于FP-LAPW方法,使用局部自旋密度近似。我们已经研究了电子结构和磁性。计算得出的态密度和能带结构密度显示了Co 2 MnGe和Co 2 MnSn的半金属铁磁体特性。查看全文下载全文关键字GGA,half-metallicity,DOS和乐队结构相关的var addthis_config = {ui_cobrand:“泰勒和弗朗西斯在线”,servicescompact:“ citeulike,netvibes,twitter,technorati,delicious,linkedin,facebook,stumbleupon,digg,google,更多”,发布号:“ ra-4dff56cd6bb1830b”};添加到候选列表链接永久链接http://dx.doi.org/10.1080/01411594.2012.661860

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