| 查看: 1640 | 回复: 10 | |||
| 本帖产生 1 个 翻译EPI ，点击这里进行查看 | |||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | |||
[交流]
翻译求助
|
|||
|
各位大虾帮忙翻译一下，急！谢谢！ It is interesting to consider the phase diagram that results if we exclude the Ta5N6 phase （e.g., if it is prevented from forming due to particular experimental conditions）. The result is shown in Fig. 4（d）. In this case, in addition to the Ta2N and Ta3N5 phases, which are now favorable over a larger region, the Ta4N5 structure appears in a relatively wide range of （ μN,μTa）phase space and, in addition, a structure containing N vacancies in a rocksalt lattice is seen （rs-Ta4N3）. It can be noticed that when sweeping from right to left in the phase diagram and going from high μN, low μTa to more low μN, high μTa conditions, the Ta to N ratio increases;namely, it changes from 0.6 （Ta3N5） to 0.8 （Ta4N5） to 1.33 （rs-Ta4N3） to 2.0 （Ta2N）; that is, the phases change from so-called “higher nitrides” to “lower nitrides.” This is similar to the trend found in Ref. 2 when heating the Ta3N5 phase under UHV as described in the Introduction, which causes desorption and loss of N atoms as N2, resulting in progressively more Ta-rich materials. In Figs. 4（c）and 4（d）, the scale of the N chemical potential is correlated with the N2 pressure for two selected temperatures [cf. Eq. (2)]. At 600 K, it can be seen from Fig. 4(c) that for pressure ranges used in industry and laboratories—i.e., from ultrahigh vacuum to 100 atm (10−15~100 atm or 0.65×10−12–0.65×105 Torr）, which correspond to mN in the range of ,−0.4 to ,−1.4 eV, the Ta5N6 phase is the most stable. This is also the case at 1000 K even though the corresponding range of μN is shifted and considerably extended（~-0.8 to ~−2.4 eV）. Considering Fig. 4（d）, however,which contains the metastable N-vacancy structure（rs-Ta4N3） and Ta4N5 phase, it can be seen that at 600 K,Ta4N5 is favored, while at 1000 K, depending on the pressure,either Ta4N5, rs-Ta4N3, or even Ta2N may be favored.Thus, through variation of the temperature and pressure, different structures become energetically favored, and in general, structures with higher N contents are predicted for higher N2 pressures, while for a given pressure, higher temperatures are predicted to give rise to more N-deficient structures.This is in qualitative agreement with the experimental results. In summary, through highly precise total energy FLAPW calculations we studied the relative stability and associated electronic properties of stable and metastable structures of the Ta-N system. In all cases, the calculated equilibrium volume is in excellent agreement with experiment. We find that there are three stable phases—namely, Ta2N, Ta5N6, and Ta3N5; the rest are metastable. The electronic properties range from strongly metallic （Ta2N） to more resistive（Ta5N6） and finally to insulating （Ta3N5）. The very close energies calculated for the various structures investigated for certain regions of the phase diagram suggest that kinetic effects（due, e.g., to diffusion barriers for atomic rearrangement or epitaxial stabilization effects） will play an important role for this complex system and that the chemical and phase compositions of deposited films will depend critically on the growth conditions. This is in accordance with, and helps explain, the wide range of different structures observed experimentally. |
回复此楼» 猜你喜欢
2026年的国家社科基金项目通讯评审的新规则与新动向、新挑战
已经有7人回复
-
今天基金会出结果吗？20260819
已经有18人回复
-
我面上完蛋了
已经有14人回复
-
范进中举一文的中心思想
已经有8人回复
-
只有每年这种时候来逛逛小木虫
已经有27人回复
-
明天应该可查了！？
已经有5人回复
-
如果此刻你正在为国基感到焦虑，不妨来听听这首《基金之外》
已经有7人回复
-
没有任何消息-是不是就凉了
已经有8人回复
-
人气不行了
已经有10人回复
-
能否退出参与的面上项目解除限项
已经有24人回复
» 抢金币啦！回帖就可以得到:
-
告别流水线爽文！108万字完结仙侠《女娲石之灵石奇缘（仙界篇）》值得细品
+1/5026
-
2026年工程管理与智慧城市国际会议 (EMSC 2026)
+1/694
-
小木虫认识的老公在一起11年，去世快100天了。
+2/372
-
真诚征友
+1/189
-
基金祈福
+1/154
-
散金币
+1/121
-
上海交通大学张航课题组招聘博士后（电化学能量存储与转换）
+1/99
-
上海交通大学张航课题组招聘博士后（电化学储能）
+1/87
-
武汉，诚征男友，不异地，年龄大了
+1/40
-
祈福基金得中，科研生涯顺利圆满
+1/28
-
基金放榜前
+1/12
-
2027年博士申请
+1/10
-
【交叉科研合作】诚邀多学科教授、博士共建学生实践课题库
+1/7
-
厦大化院海优团队招收2027级【博士】和【推免硕士】研究生各2名
+1/6
-
南京大学 智能驱动与感知材料实验室 诚招申请考核博士生/科研助理/博士后
+1/4
-
祈祷老公中国基
+1/3
-
出全新蔡司 Plan?APOCHROMAT 20×/0.8 平场复消色差物镜
+1/2
-
【科研项目征集】一项可在 4—8 周完成的小任务，也值得被认真对待
+1/2
-
新审查指南施行半年，AI方向的专利申请是不是更看"技术味"了？
+1/2
-
南方医科大学深圳医院陈烨/余涛教授课题组联合培养博士后招聘
+1/2
好人呐，谢谢啦！ 8楼2011-03-03 16:37:30
寂寞倾城(金币+5, 翻译EPI+1): 2011-03-03 15:11:17
|
It is interesting to consider the phase diagram that results if we exclude the Ta5N6 phase （e.g., if it is prevented from forming due to particular experimental conditions）. The result is shown in Fig. 4（d）. In this case, in addition to the Ta2N and Ta3N5 phases, which are now favorable over a larger region, the Ta4N5 structure appears in a relatively wide range of （ μN,μTa）phase space and, in addition, a structure containing N vacancies in a rocksalt lattice is seen （rs-Ta4N3）. It can be noticed that when sweeping from right to left in the phase diagram and going from high μN, low μTa to more low μN, high μTa conditions, the Ta to N ratio increases;namely, it changes from 0.6 （Ta3N5） to 0.8 （Ta4N5）to 1.33 （rs-Ta4N3） to 2.0 （Ta2N）; that is, the phases change from so-called “higher nitrides” to “lower nitrides.” This is similar to the trend found in Ref. 2 when heating the Ta3N5 phase under UHV as described in the Introduction, which causes desorption and loss of N atoms as N2, resulting in progressively more Ta-rich materials. 如果我们排除Ta5N6阶段（例如，如果由于特定的实验条件未能形成），考虑得到的相图将很有趣。结果如图4（d）所示。在这种情况下，除了目前已在更大区域有利的Ta2N和Ta3N5阶段，Ta4N5结构出现在一个比较宽的范围（μN，μTa）相空间，此外，可以看到一个包含了N空位是岩盐格结构（rs - Ta4N3）。可以注意到，当由右至左清扫相图，由高μN、低μTa，到更低μN、高μTa条件， Ta /N比增加，从0.6（Ta3N5）至0.8 （Ta4N5）至1.33（rs - Ta4N3）至2.0（Ta2N）改变，也就是说，相变是从所谓的“高氮化物”到“低氮化物”，变化趋势与在参考文献2发现的类似，如引言中所述，特高压下加热的Ta3N5相，这将导致脱附和氮原子以N2形式损耗，造成富Ta材料的逐步形成。 |
2楼2011-03-03 14:57:01
3楼2011-03-03 15:17:54
4楼2011-03-03 15:20:04
