{"currentpage":1,"firstResult":0,"maxresult":10,"pagecode":5,"pageindex":{"endPagecode":5,"startPagecode":1},"records":[{"abstractinfo":"运用固体经验<span style=\"color:red\">电子</span>理论,对Al-Ag合金GP区η相的<span style=\"color:red\">价电子</span>结构进行计算,并且在此基础上计算了GP区和基体的界面能.从计算得到的<span style=\"color:red\">价电子</span><span style=\"color:red\">成</span><span style=\"color:red\">键</span>的结果中,发现Ag-Ag原子之间的结合倾向最大,表明时效过程中,Ag-Ag原子容易出现偏聚.GP区有较强的共价<span style=\"color:red\">键</span>络,是A1-Ag合金时效硬化的重要本质原因.从<span style=\"color:red\">电子</span><span style=\"color:red\">成</span>键角度阐明GP区与基体的共格界面能较低,是GP区能够生成长大的重要原因.","authors":[{"authorName":"高英俊","id":"2d1c9801-b30d-4397-aee9-4efa3fd7a4f7","originalAuthorName":"高英俊"},{"authorName":"赵妙","id":"61b3cd00-8758-4c65-92dd-175868ec5ced","originalAuthorName":"赵妙"},{"authorName":"黄创高","id":"9cb8e879-e313-42c2-a21a-f813daaea8e0","originalAuthorName":"黄创高"},{"authorName":"蓝志强","id":"2aaaada6-4516-4606-954b-2c98947dc452","originalAuthorName":"蓝志强"}],"doi":"10.3969/j.issn.1004-0676.2005.03.005","fpage":"21","id":"66c71cfb-61e7-4581-a81d-21ae93b4b317","issue":"3","journal":{"abbrevTitle":"GJS","coverImgSrc":"journal/img/cover/GJS.jpg","id":"38","issnPpub":"1004-0676","publisherId":"GJS","title":"贵金属"},"keywords":[{"id":"2056494d-2c0e-49ce-8787-4df64800c975","keyword":"金属材料","originalKeyword":"金属材料"},{"id":"255cc659-1afe-48fb-8fa4-7c665f42c3fb","keyword":"Al-Ag合金","originalKeyword":"Al-Ag合金"},{"id":"9eb95333-34fc-4cf7-a6b8-0a744d8944f6","keyword":"GP区","originalKeyword":"GP区"},{"id":"f201a0f0-f396-43e9-9b2d-4c1c831d79dd","keyword":"界面能","originalKeyword":"界面能"},{"id":"6095df9b-6ce4-4121-b3cc-609f35b53b02","keyword":"<span style=\"color:red\">价电子</span><span style=\"color:red\">成</span><span style=\"color:red\">键</span>","originalKeyword":"价电子成键"}],"language":"zh","publisherId":"gjs200503005","title":"Al-Ag合金GP区的<span style=\"color:red\">价电子</span>结构与界面能","volume":"26","year":"2005"},{"abstractinfo":"利用电荷自治离散变分Xα(SCC-DV-)Xα方法计算了LaNi5及其氢化物的<span style=\"color:red\">电子</span>结构, 分析了LaNi5合金氢化物中氢原子与合金元素的<span style=\"color:red\">成</span><span style=\"color:red\">键</span>方式, 合金中氢化物形成元素与非形成元素的作用机理. 在LaNi5的氢化物中, Ni 4p与H 1s轨道作用形成共价<span style=\"color:red\">键</span>; Ni原子与La原子也有轨道离域<span style=\"color:red\">成</span><span style=\"color:red\">键</span>, 但随氢原子的进入而减弱; 吸氢使LaNi5的a轴比c轴更容易发生变化.","authors":[{"authorName":"郭进","id":"ef2d2269-6d1e-49c5-9824-bea3e48648d8","originalAuthorName":"郭进"},{"authorName":"韦文楼","id":"9c1e9767-3634-48fe-95b6-b9e150d0f66f","originalAuthorName":"韦文楼"},{"authorName":"马树元","id":"309417fd-34c0-4435-b3f2-31c0ea5c1ad1","originalAuthorName":"马树元"},{"authorName":"高英俊","id":"a9891174-a141-4d9f-b9a0-96befcb718c8","originalAuthorName":"高英俊"},{"authorName":"方志杰","id":"98aa1f26-3c05-4802-b3c8-68f92979fd63","originalAuthorName":"方志杰"}],"categoryName":"|","doi":"","fpage":"10","id":"f2d05b3e-c1a6-4942-b256-7da8dbf71aab","issue":"1","journal":{"abbrevTitle":"JSXB","coverImgSrc":"journal/img/cover/JSXB.jpg","id":"48","issnPpub":"0412-1961","publisherId":"JSXB","title":"金属学报"},"keywords":[{"id":"8b156130-e416-4312-8197-c46dc3869315","keyword":"<span style=\"color:red\">电子</span>结构","originalKeyword":"电子结构"},{"id":"cd811e5c-beb9-4c32-9439-9d6479b3c86c","keyword":"null","originalKeyword":"null"},{"id":"06046e0b-39ff-4173-a917-69747896d15e","keyword":"null","originalKeyword":"null"}],"language":"zh","publisherId":"0412-1961_2003_1_3","title":"LaNi5<span style=\"color:red\">电子</span>结构与<span style=\"color:red\">成</span><span style=\"color:red\">键</span>特征","volume":"39","year":"2003"},{"abstractinfo":"利用电荷自洽离散变分Xα(SCC-DV-Xα)方法计算了LaNi5及其氢化物的<span style=\"color:red\">电子</span>结构,分析了LaNi5合金氢化物中氢原子与合金元素的<span style=\"color:red\">成</span><span style=\"color:red\">键</span>方式,合金中氢化物形成元素与非形成元素的作用机理.在LaNi5的氢化物中,Ni 4p与H 1s轨道作用形成共价<span style=\"color:red\">键</span>;Ni原子与La原子也有轨道离域<span style=\"color:red\">成</span><span style=\"color:red\">键</span>,但随氢原子的进入而减弱;吸氢使LaNi5的a轴比c轴更容易发生变化.","authors":[{"authorName":"郭进","id":"8ad2e873-b9d3-4f73-a3ad-707f001de8df","originalAuthorName":"郭进"},{"authorName":"韦文楼","id":"434e77fe-d8e3-42b4-9382-1c0922a57a99","originalAuthorName":"韦文楼"},{"authorName":"马树元","id":"e7051d43-3444-477b-b170-3a682dea75c4","originalAuthorName":"马树元"},{"authorName":"高英俊","id":"b21c95ff-f91b-406f-8e8e-d4296aac557c","originalAuthorName":"高英俊"},{"authorName":"方志杰","id":"259f3206-31b8-4fc9-92d7-40789266b8f6","originalAuthorName":"方志杰"}],"doi":"10.3321/j.issn:0412-1961.2003.01.003","fpage":"10","id":"6064397e-33a8-4cc3-9ac7-b2dff928550c","issue":"1","journal":{"abbrevTitle":"JSXB","coverImgSrc":"journal/img/cover/JSXB.jpg","id":"48","issnPpub":"0412-1961","publisherId":"JSXB","title":"金属学报"},"keywords":[{"id":"2a4f7c51-f547-4c99-af3b-358d7222b73a","keyword":"<span style=\"color:red\">电子</span>结构","originalKeyword":"电子结构"},{"id":"56d4e76f-ff73-428c-9178-44a6451fb66d","keyword":"<span style=\"color:red\">成</span><span style=\"color:red\">键</span>特征","originalKeyword":"成键特征"},{"id":"643b3125-5f93-425d-b211-e7d340d2065e","keyword":"LaNi5氢化物","originalKeyword":"LaNi5氢化物"}],"language":"zh","publisherId":"jsxb200301003","title":"LaNi5<span style=\"color:red\">电子</span>结构与<span style=\"color:red\">成</span><span style=\"color:red\">键</span>特征","volume":"39","year":"2003"},{"abstractinfo":"利用固体与分子经验<span style=\"color:red\">电子</span>理论(EET理论)计算了PtSi的<span style=\"color:red\">价电子</span>结构,并利用X射线光<span style=\"color:red\">电子</span>谱(XPS)分析了PtSi薄膜中阶<span style=\"color:red\">电子</span>的能谱.结果表明,Pt和Si化合形成PtSi以后,Si和Pt的杂阶均向较低杂阶方向移动,化合物中含有较高密度的晶格<span style=\"color:red\">电子</span>,使PtSi具有良好的导电性.X射线光<span style=\"color:red\">电子</span>谱测试结果表明,PtSi中<span style=\"color:red\">价电子</span>的能谱向高结合能方向移动,Pt的5d<span style=\"color:red\">电子</span>是化合物中重要的<span style=\"color:red\">成</span><span style=\"color:red\">键</span><span style=\"color:red\">电子</span>.","authors":[{"authorName":"殷景华","id":"0336a131-ff85-4281-a2af-8c4c3e478e88","originalAuthorName":"殷景华"},{"authorName":"郑馥","id":"69b25f66-aee0-4b0e-90cd-1877f2b7e6d0","originalAuthorName":"郑馥"},{"authorName":"李雪","id":"f18d9115-ba8f-4868-99da-2995ce258f3c","originalAuthorName":"李雪"},{"authorName":"赵连城","id":"45a769c9-8661-43c9-aca4-2201e8c12c9d","originalAuthorName":"赵连城"}],"doi":"10.3321/j.issn:1005-3093.2000.06.016","fpage":"643","id":"7586ebf8-6893-4e5b-855e-08d603479a85","issue":"6","journal":{"abbrevTitle":"CLYJXB","coverImgSrc":"journal/img/cover/CLYJXB.jpg","id":"16","issnPpub":"1005-3093","publisherId":"CLYJXB","title":"材料研究学报"},"keywords":[{"id":"85c764ae-219d-4826-b878-85a98e04154c","keyword":"PtSi","originalKeyword":"PtSi"},{"id":"ef290d37-6977-4f78-b4b9-995520a75488","keyword":"<span style=\"color:red\">价电子</span>结构","originalKeyword":"价电子结构"},{"id":"a91dda83-98c7-472d-a0ca-14e752affbed","keyword":"导电性","originalKeyword":"导电性"}],"language":"zh","publisherId":"clyjxb200006016","title":"PtSi的<span style=\"color:red\">价电子</span>结构","volume":"14","year":"2000"},{"abstractinfo":"本文在Bardeen和Pines确定的<span style=\"color:red\">电子</span>-声子相互作用的有效矩阵元的基础上,讨论了元素之间有化学<span style=\"color:red\">键</span>的形成,元素之间发生了<span style=\"color:red\">电子</span>转移,元素的核外层<span style=\"color:red\">电子</span>发生了变化对<span style=\"color:red\">电子</span>-声子相互作用的影响.所得结果和Bardeen和Pines,Bohm和Pines早期的工作符合,可由下列事实解释：即元素<span style=\"color:red\">成</span><span style=\"color:red\">键</span>后,<span style=\"color:red\">成</span><span style=\"color:red\">键</span><span style=\"color:red\">电子</span>转移后元素的剩余的<span style=\"color:red\">电子</span>-声子相互作用是非常短程的,更适合用独立粒子的方法;得到<span style=\"color:red\">电子</span>的元素,受到<span style=\"color:red\">成</span><span style=\"color:red\">键</span><span style=\"color:red\">电子</span>的屏蔽,元素上的<span style=\"color:red\">电子</span>-<span style=\"color:red\">电子</span>相互作用是短程的,也更适合用独立粒子的方法.由于元素<span style=\"color:red\">成</span><span style=\"color:red\">键</span>受到<span style=\"color:red\">键</span><span style=\"color:red\">电子</span>的屏蔽作用,电声子相互作用中<span style=\"color:red\">电子</span>之间的库仑作用对于超导性的影响也已经证明是小的.","authors":[{"authorName":"陈羽","id":"7b540024-3508-49bd-a5bc-529da1ad77c7","originalAuthorName":"陈羽"},{"authorName":"黄新民","id":"22ab0cf3-2536-4dba-a7dc-eaa899c4a5bb","originalAuthorName":"黄新民"}],"doi":"","fpage":"305","id":"54334d70-3dc8-447a-b0e8-5bb974bc9d3d","issue":"4","journal":{"abbrevTitle":"DWWLXB","coverImgSrc":"journal/img/cover/DWWLXB.jpg","id":"19","issnPpub":"1000-3258","publisherId":"DWWLXB","title":"低温物理学报   "},"keywords":[{"id":"39d93707-2451-4ca2-926d-4927d2332bde","keyword":"<span style=\"color:red\">成</span><span style=\"color:red\">键</span><span style=\"color:red\">电子</span>","originalKeyword":"成键电子"},{"id":"d0184831-8c45-421a-99bc-ee348df56982","keyword":"<span style=\"color:red\">成</span><span style=\"color:red\">键</span>元素","originalKeyword":"成键元素"},{"id":"df71fab4-f572-4e2f-8d8e-ee9d9e39abd5","keyword":"电声子之间相互作用","originalKeyword":"电声子之间相互作用"}],"language":"zh","publisherId":"dwwlxb201104015","title":"<span style=\"color:red\">成</span><span style=\"color:red\">键</span>元素的<span style=\"color:red\">电子</span>声子相互作用的特征","volume":"33","year":"2011"},{"abstractinfo":"采用基于密度泛函理论的CASTEP程序软件包,计算了CdTe和CdZnTe的能带结构和态密度,研究对比了CdTe 和CdZnTe的分子内<span style=\"color:red\">成</span><span style=\"color:red\">键</span>机制.结果表明,在CdZnTe中,Cd eg和Te 5s杂化形成较低的价带,Zn t2g和Te 5pz杂化形成的π<span style=\"color:red\">键</span>等构成中间价带,Zn 4s和Te 5pz杂化形成的σ<span style=\"color:red\">键</span>等构成导带.Cd 5s和Te 5s不再杂化,导带底向高能级方向移动.","authors":[{"authorName":"曾冬梅","id":"74370bfa-023f-472e-bc31-ea76d06e2da9","originalAuthorName":"曾冬梅"},{"authorName":"孟捷","id":"30dd2227-f0a4-4156-ba26-6d07ab676029","originalAuthorName":"孟捷"},{"authorName":"慕银银","id":"cac647dd-50ce-4142-8ed5-e2b9bdff7ee1","originalAuthorName":"慕银银"},{"authorName":"刘伟光","id":"7307f2ab-7ce5-49f5-8ae3-51f7b5d1ae5c","originalAuthorName":"刘伟光"},{"authorName":"吴本泽","id":"52fddd8f-e25a-4827-9183-fbd3071306f8","originalAuthorName":"吴本泽"},{"authorName":"庄光程","id":"c7ab0a36-62f8-4710-8673-cb3ce49a0ce0","originalAuthorName":"庄光程"}],"doi":"","fpage":"224","id":"8801ebd0-f18d-4cd8-a84b-3ec400815ddb","issue":"1","journal":{"abbrevTitle":"RGJTXB","coverImgSrc":"journal/img/cover/RGJTXB.jpg","id":"57","issnPpub":"1000-985X","publisherId":"RGJTXB","title":"人工晶体学报"},"keywords":[{"id":"6da8b536-0276-4070-b797-412a640c5453","keyword":"CdTe","originalKeyword":"CdTe"},{"id":"f24c812a-5f1b-4057-843d-303c51ad27a2","keyword":"CdZnTe","originalKeyword":"CdZnTe"},{"id":"20099179-a32b-4436-a026-c91eadccf9e9","keyword":"能带结构","originalKeyword":"能带结构"},{"id":"0689c570-9e75-4cfb-b664-18a257014675","keyword":"态密度","originalKeyword":"态密度"},{"id":"af24b64c-5356-45d1-8773-c80c041e083c","keyword":"<span style=\"color:red\">电子</span>结构","originalKeyword":"电子结构"}],"language":"zh","publisherId":"rgjtxb98201601038","title":"CdTe和CdZnTe<span style=\"color:red\">电子</span>结构及<span style=\"color:red\">成</span><span style=\"color:red\">键</span>机理的第一性原理研究","volume":"45","year":"2016"},{"abstractinfo":"根据固体与分子经验<span style=\"color:red\">电子</span>理论( EET),计算不同 Y的质量分数对 CrB<span style=\"color:red\">价电子</span>结构影响.结果表明: (Cr 1-xYx)B中 Y的质量分数增加,最强<span style=\"color:red\">键</span>和次强<span style=\"color:red\">键</span>共<span style=\"color:red\">价电子</span>数减少,<span style=\"color:red\">价电子</span>结构均匀分布因子上升, (Cr 1-xYx)B韧性提高.","authors":[{"authorName":"杜晓东","id":"2288da3a-e20a-418b-ac1f-4e065f4c5484","originalAuthorName":"杜晓东"},{"authorName":"丁厚福","id":"e6cc0b30-f233-4e6f-9be6-cebe283bd117","originalAuthorName":"丁厚福"},{"authorName":"宣天鹏","id":"b06c4c89-9dc9-43b7-9aeb-04b6bbde4c7d","originalAuthorName":"宣天鹏"}],"doi":"10.3969/j.issn.1004-244X.2004.05.001","fpage":"1","id":"b06e4dab-6e3a-4a6e-9872-359d73f7fdf0","issue":"5","journal":{"abbrevTitle":"BQCLKXYGC","coverImgSrc":"journal/img/cover/BQCLKXYGC.jpg","id":"4","issnPpub":"1004-244X","publisherId":"BQCLKXYGC","title":"兵器材料科学与工程   "},"keywords":[{"id":"ef0d067a-ca67-4cf4-9a43-800adda8cc62","keyword":"稀土元素","originalKeyword":"稀土元素"},{"id":"e02bce25-d6bf-47ee-a6ed-de02d81273c0","keyword":"EET","originalKeyword":"EET"},{"id":"77227868-e069-4936-98fa-2d2652f7027c","keyword":"韧性","originalKeyword":"韧性"},{"id":"30f584bc-f741-4204-815f-926a8adbc78c","keyword":"(Cr 1-xYx)B","originalKeyword":"(Cr 1-xYx)B"},{"id":"7fa40ffe-0fc9-4e14-91bc-4a8feb5b4749","keyword":"Ni基合金","originalKeyword":"Ni基合金"}],"language":"zh","publisherId":"bqclkxygc200405001","title":"稀土对CrB<span style=\"color:red\">价电子</span>结构的影响","volume":"27","year":"2004"},{"abstractinfo":"采用基于密度泛函的第一性原理平面波赝势法对CNGS和CTGS基态的几何结构、<span style=\"color:red\">电子</span>结构和<span style=\"color:red\">成</span><span style=\"color:red\">键</span>特性进行了系统的研究;利用精确计算的能带结构、态密度和所绘制的电荷密度等值线分析了晶体中各元素对总态密度的贡献和杂化特性和晶体中各阳离子的<span style=\"color:red\">成</span><span style=\"color:red\">键</span>强度和特点;排列出各键的强弱顺序并指出C位(Ga-O<span style=\"color:red\">键</span>)、B位(X-O<span style=\"color:red\">键</span>)和D位(Si-O<span style=\"color:red\">键</span>)是晶体压电特性的主要来源;计算了其折射率,并与实验数据进行了比较,计算误差小于9%.","authors":[{"authorName":"杨虹","id":"45ce5ca3-87e8-45b2-baa5-11b951a2795b","originalAuthorName":"杨虹"},{"authorName":"黄文奇","id":"67b0e174-1fdd-4936-8db1-92704f6672ef","originalAuthorName":"黄文奇"},{"authorName":"卢贵武","id":"8fbd76d6-3059-414e-a0da-5ceeab130f35","originalAuthorName":"卢贵武"},{"authorName":"于肇贤","id":"f4496d2d-f28f-4438-8216-11847252c7f0","originalAuthorName":"于肇贤"}],"doi":"","fpage":"1249","id":"27681299-b9a9-4ef5-8679-92e469b1f257","issue":"5","journal":{"abbrevTitle":"RGJTXB","coverImgSrc":"journal/img/cover/RGJTXB.jpg","id":"57","issnPpub":"1000-985X","publisherId":"RGJTXB","title":"人工晶体学报"},"keywords":[{"id":"b279d1ed-1e0b-4f94-98f6-40596ed4973d","keyword":"CNGS","originalKeyword":"CNGS"},{"id":"94b4b879-2ead-4a56-a156-d1884172dea6","keyword":"CTGS","originalKeyword":"CTGS"},{"id":"65d525b0-3727-4779-8ee5-af11a0b101f6","keyword":"<span style=\"color:red\">电子</span>结构","originalKeyword":"电子结构"},{"id":"bf95660f-94d9-4225-a207-0805c3fe6459","keyword":"<span style=\"color:red\">成</span><span style=\"color:red\">键</span>特性","originalKeyword":"成键特性"},{"id":"17ae2854-4340-4769-a019-002d9663e695","keyword":"第一性原理","originalKeyword":"第一性原理"}],"language":"zh","publisherId":"rgjtxb98201005032","title":"CNGS和CTGS晶体<span style=\"color:red\">电子</span>结构及<span style=\"color:red\">成</span><span style=\"color:red\">键</span>特性的第一性原理研究","volume":"39","year":"2010"},{"abstractinfo":"以试用于可膨胀管技术的TWIP钢30Mn25Cr10Ni2MoNbRe为例,用固体与分子经验<span style=\"color:red\">电子</span>理论建立了Fe-Mn,Fe-C-Mn等各种晶胞类型的<span style=\"color:red\">价电子</span>结构模型.结果表明,合金元素Me的置换取代了Fe后,固溶引起<span style=\"color:red\">键</span>络<span style=\"color:red\">价电子</span>结构分布发生很大的变化,γ-Fe中键络的增强使<span style=\"color:red\">键</span>的分解和重构困难,起了强化作用.合金原子的含量影响了原子层与层之间主要<span style=\"color:red\">键</span>的<span style=\"color:red\">键</span>能强弱,使得TWIP钢滑移面相邻两层原子不易发生相对滑移,有利于孪生诱导塑性机制.","authors":[{"authorName":"阳义","id":"a4ccb0a6-0519-4113-b556-cc5831e5405e","originalAuthorName":"阳义"},{"authorName":"李春福","id":"4bbf377b-2a98-4564-9e55-de08fe987557","originalAuthorName":"李春福"},{"authorName":"李锡平","id":"ecda9d42-685c-4cf8-8e57-5b94025e49ee","originalAuthorName":"李锡平"},{"authorName":"胡志强","id":"4be6b286-0578-4c45-a05b-10fb06aacfae","originalAuthorName":"胡志强"}],"doi":"","fpage":"54","id":"a1e31f42-d97e-4503-b9d2-2372e1f35313","issue":"6","journal":{"abbrevTitle":"WLCS","coverImgSrc":"journal/img/cover/WLCS.jpg","id":"64","issnPpub":"1001-0777","publisherId":"WLCS","title":"物理测试"},"keywords":[{"id":"49e1c22d-da51-4144-b9e7-2d000b5e7bf8","keyword":"TWIP钢","originalKeyword":"TWIP钢"},{"id":"4e3cd6c6-ee0d-4b7c-a2b8-dbaf69500688","keyword":"经验<span style=\"color:red\">电子</span>理论","originalKeyword":"经验电子理论"},{"id":"6407fd12-cdaf-44f0-93ca-2083b28b6e26","keyword":"孪生诱导塑性","originalKeyword":"孪生诱导塑性"}],"language":"zh","publisherId":"wlcs201306013","title":"TWIP钢的<span style=\"color:red\">价电子</span>理论","volume":"31","year":"2013"},{"abstractinfo":"采用基于密度泛函的赝势平面波方法, 对ZrMn2贮氢合金及其氢化物的<span style=\"color:red\">电子</span>结构进行计算, 并分析<span style=\"color:red\">成</span><span style=\"color:red\">键</span>特性, 结果表明, 在ZrMn2合金中, Mn(2)原子之间的相互作用强于Mn原子与Zr原子之间的相互作用, Mn(2)-Mn(2)原子间存在明显的共价作用, 但在吸氢(H)后, Mn(2)-Mn(2)相互作用明显减弱. H与Zr之间在c轴方向的<span style=\"color:red\">键</span>合力较弱, 当H原子进入吸氢四面体后所引起的晶格膨胀导致Zr原子易于向外移动, 使得c轴的膨胀大于a轴的膨胀.","authors":[{"authorName":"菅晓玲","id":"8dd6a12a-f3d5-4c8b-b94e-523b724c4c9a","originalAuthorName":"菅晓玲"},{"authorName":"黄存可","id":"698168b3-737c-4419-8989-6bad4946d541","originalAuthorName":"黄存可"},{"authorName":"郑定山","id":"37b6740b-f863-4688-afc2-12482d54cf43","originalAuthorName":"郑定山"},{"authorName":"韦文楼","id":"e2acbce7-580b-4306-b5bf-9e7782289ee8","originalAuthorName":"韦文楼"},{"authorName":"郭进","id":"b6b5cd17-176b-438c-ab47-9f951728f0dd","originalAuthorName":"郭进"}],"categoryName":"|","doi":"","fpage":"123","id":"89a6abfc-9996-4107-8602-bdef4555df52","issue":"2","journal":{"abbrevTitle":"JSXB","coverImgSrc":"journal/img/cover/JSXB.jpg","id":"48","issnPpub":"0412-1961","publisherId":"JSXB","title":"金属学报"},"keywords":[{"id":"6b4a37d9-578a-4b53-8619-7e86e925b673","keyword":"ZrMn2储氢合金","originalKeyword":"ZrMn2储氢合金"},{"id":"3f55408c-666a-40c0-989c-7c5478429285","keyword":"hydride","originalKeyword":"hydride"},{"id":"7abac1c1-70dd-4ae8-a0ca-f8346a931bdd","keyword":"electronic structure","originalKeyword":"electronic structure"}],"language":"zh","publisherId":"0412-1961_2006_2_6","title":"ZrMn2合金及其氢化物的<span style=\"color:red\">电子</span>结构与<span style=\"color:red\">成</span><span style=\"color:red\">键</span>特性的第一原理研究","volume":"42","year":"2006"}],"totalpage":2659,"totalrecord":26585}