ELECTRONIC-STRUCTURE AND ENHANCEMENT OF MAGNETIC-MOMENTS IN THE FERROMAGNETIC NITRIDE FE16N2
文献类型：期刊论文
| 作者 | HE, JS ; ZHOU, YM ; LAI, WY ; PAN, CY |
| 刊名 | PHYSICAL REVIEW B
 |
| 出版日期 | 1995 |
| 卷号 | 52期号:9页码:6193 |
| 关键词 | GRADIENT APPROXIMATION EXCHANGE FE4N |
| ISSN号 | 0163-1829 |
| 通讯作者 | HE, JS: CHINESE ACAD SCI,INST PHYS,POB 603,BEIJING 100080,PEOPLES R CHINA. |
| 中文摘要 | The electronic structure of Fe16N2 is calculated by using the linear muffin-tin orbital method in the atomic-sphere approximation (LMTO-ASA). Both the standard local-spin-density approximation (LSDA) and the recently proposed generalized gradient approximation (GGA) are used in this density functional calculation. By introducing the gradients of the density, the exchange-correlation effect is taken into account more sufficiently in GGA than in LSDA. Magnetic moments at three different sites of Fe atom (i.e., Fe I, Fe II, Fe III) are 2.20, 2.55, and 2.70 mu(B), respectively. Larger enhancement of magnetic moment is obtained in Fe II and Fe III, which are located farther from N than Fe I. There is no significant difference in magnetic moments and density of states between the two approaches (GGA and LSDA). |
| 收录类别 | SCI |
| 语种 | 英语 |
| 公开日期 | 2013-09-17 |
| 源URL | [http://ir.iphy.ac.cn/handle/311004/37230]  |
| 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 | HE, JS,ZHOU, YM,LAI, WY,et al. ELECTRONIC-STRUCTURE AND ENHANCEMENT OF MAGNETIC-MOMENTS IN THE FERROMAGNETIC NITRIDE FE16N2[J]. PHYSICAL REVIEW B,1995,52(9):6193. |
| APA | HE, JS,ZHOU, YM,LAI, WY,&PAN, CY.(1995).ELECTRONIC-STRUCTURE AND ENHANCEMENT OF MAGNETIC-MOMENTS IN THE FERROMAGNETIC NITRIDE FE16N2.PHYSICAL REVIEW B,52(9),6193. |
| MLA | HE, JS,et al."ELECTRONIC-STRUCTURE AND ENHANCEMENT OF MAGNETIC-MOMENTS IN THE FERROMAGNETIC NITRIDE FE16N2".PHYSICAL REVIEW B 52.9(1995):6193. |
入库方式： OAI收割
来源：物理研究所
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