 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 858 | 回復: 7 | |||
| 本帖產(chǎn)生 1 個 翻譯EPI ，點擊這里進行查看 | |||
| 當前只顯示滿足指定條件的回帖，點擊這里查看本話題的所有回帖 | |||
[交流]
英語翻譯
|
|||
|
The structure of the Ta3N5 phase stritantalum pentanitrided is displayed in Figs.2（a） and 2（b）. Each Ta atom is surrounded by six N atoms, and the N atoms are threefold and fourfold Ta coordinated.The optimized volume is found to be just 0.1% smaller than experiment. There are 32 atoms in the unit cell. The corresponding DOS [Fig. 2(c)](Ref. 10) shows that the material is insulating—i.e., a semiconductor with a band gap of 1.5 eV. We note that in reality the band gap will be larger due to the well-known underestimation of the LDA. A more accurate description of the band gap could be obtained by performing quasiparticle calculations using the GW approximation to the self energy,screened-exchange (SX) LDA, self-interaction corrected (SIC), or exact-exchange calculations. We turn now to the hexagonal phases. The atomic geometry of Ta5N6 is depicted in Figs. 2(d) and 2(e). The closepacked N layers follow the stacking sequence ABAC with Ta atoms and tantalum vacancies in the octahedral holes. The calculated equilibrium volume is 2.6% smaller than experiment. There are 22 atoms in the unit cell. The DOS shows that the material is metallic and that there is a strong hybridization between N and Ta atoms in the valence band region. The stoichiometric hexagonal e-TaN phase is shown in Figs.3(a) and 3(b). There are six atoms in the unit cell. The calculated equilibrium volume is 0.7% less than the experimental value. From the DOS [Fig. 3(c)] it can be seen that there is also strong hybridization between N and Ta atoms in the valence band region. Finally, the atomic geometry of hexagonal Ta2N is presented in Figs. 3(d) and 3(e). There are just three atoms in the unit cell. The equilibrium volume is calculated to be 0.6% smaller than experiment. The DOS shows clearly that this material is metallic; it can furthermore be seen from the partial DOS that the states above -5 eV are largely Ta derived. |
回復此樓» 猜你喜歡
271求調(diào)劑
已經(jīng)有4人回復
-
求調(diào)劑323材料與化工
已經(jīng)有4人回復
-
材料學碩，求調(diào)劑
已經(jīng)有9人回復
-
085600材料與化工調(diào)劑
已經(jīng)有15人回復
-
各位老師您好：本人初試372分
已經(jīng)有4人回復
-
【2026考研調(diào)劑】制藥工程 284分 求相關專業(yè)調(diào)劑名額
已經(jīng)有6人回復
-
289求調(diào)劑
已經(jīng)有9人回復
-
278求調(diào)劑
已經(jīng)有4人回復
-
總分293求調(diào)劑
已經(jīng)有3人回復
-
生物技術與工程
已經(jīng)有3人回復
» 搶金幣啦！回帖就可以得到:
-
西南交通大學醫(yī)學院招收生物醫(yī)學工程和材料與化工專業(yè)碩士研究生
+1/183
-
西南交通大學醫(yī)學院招收生物醫(yī)學工程和材料與化工專業(yè)碩士研究生
+1/80
-
沈陽農(nóng)業(yè)大學生物與醫(yī)藥招收調(diào)劑生�。。。。。。。。�！
+1/42
-
江蘇科技大學能源材料化學課題組郭興梅教授招收博士研究生1-2名
+1/41
-
PBAT溶解做成乳液
+1/36
-
哈爾濱工業(yè)大學（深圳）-何自開教授團隊誠招化學工程與技術專業(yè)博士研究生
+1/34
-
上海中醫(yī)藥大學創(chuàng)新中藥研究院 招收審核制博士生一名
+1/24
-
春眠不覺曉
+1/21
-
浙江大學光電學院極端光學技術與儀器國家重點實驗室誠聘極紫外阿秒方向博士后
+1/16
-
中國科學院上海硅酸鹽研究所施劍林院士團隊胡萍課題組招聘博士后
+1/15
-
26年招收07 08學術型/專業(yè)型碩士研究生
+1/8
-
一志愿中國海洋大學095137，初試成績312，不挑學校和地區(qū)，有學上就行！
+1/7
-
上海交大招收26年級秋季入學博士生，CET-6過，生物醫(yī)用材料方向（有高分子合成基礎）
+1/5
-
濟南大學壓電鐵電材料與器件團隊 招收博士生2–3名。
+1/5
-
調(diào)劑 22408 340分
+1/4
-
Top-88悉尼科技大學數(shù)據(jù)科學/AI 招收2027年入學 校獎 博士生1到2名(國際和本地學生）
+1/3
-
歐洲手性光譜方向ROA/CPL/Raman imaging招收博士研究生及聯(lián)合培養(yǎng)生（布拉格）
+1/3
-
廣東工業(yè)大學環(huán)境科學與工程學院招收資源與環(huán)境專業(yè)博士研究生
+1/2
-
天津大學浙江研究院（寧波）誠聘高分子/化學/材料方向博士后、青年特聘研究員
+1/2
-
溫州醫(yī)科大學招收特種醫(yī)學博士研究生1名（專業(yè)不限，有實驗基礎）
+1/1
太長了，要睡覺了。。。 5樓2011-03-08 23:20:47
2樓2011-03-08 20:41:40
3樓2011-03-08 22:01:57
4樓2011-03-08 22:50:06
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 289求調(diào)劑 +9 | 懷瑾握瑜l 2026-03-20 | 9/450 |
|
|---|---|---|---|---|
|
[考研] 07化學280分求調(diào)劑 +7 | 722865 2026-03-23 | 7/350 |
|
|
|
[考研] 一志愿中南大學化學學碩0703總分337求調(diào)劑 +6 | niko- 2026-03-22 | 6/300 |
|
|
|
[考研] 生物學學碩求調(diào)劑 +7 | 小羊睡著了? 2026-03-23 | 10/500 |
|
|
|
[考研] 食品專碩 一志愿雙一流 328 +3 | xiaom99 2026-03-21 | 4/200 |
|
|
|
[考研] 0703化學調(diào)劑，求導師收 +7 | 天天好運來上岸?/a> 2026-03-24 | 7/350 |
|
|
|
[考研] 化工專碩求調(diào)劑 +3 | question挽風 2026-03-24 | 3/150 |
|
|
|
[考研] 求調(diào)劑 +5 | 林之夕 2026-03-24 | 5/250 |
|
|
|
[考研] 293求調(diào)劑 +6 | 加一一九 2026-03-24 | 6/300 |
|
|
|
[考研] 284求調(diào)劑 +3 | yanzhixue111 2026-03-23 | 6/300 |
|
|
|
[考研] 361求調(diào)劑 +3 | Glack 2026-03-22 | 3/150 |
|
|
|
[考研] 一志愿中南化學（0703）總分337求調(diào)劑 +9 | niko- 2026-03-19 | 10/500 |
|
|
|
[考研] 生物學調(diào)劑 +5 | Surekei 2026-03-21 | 5/250 |
|
|
|
[考研] 085600材料與化工306 +4 | z1z2z3879 2026-03-21 | 4/200 |
|
|
|
[考研] 一志愿南大，0703化學，分數(shù)336，求調(diào)劑 +3 | 收到VS 2026-03-21 | 3/150 |
|
|
|
[考研] 311求調(diào)劑 +3 | 勇敢的小吳 2026-03-20 | 3/150 |
|
|
|
[考研] 材料與化工（0856）304求 B區(qū) 調(diào)劑 +3 | 邱gl 2026-03-21 | 3/150 |
|
|
|
[考研] 一志愿 西北大學 ，070300化學學碩，總分287，雙非一本，求調(diào)劑。 +3 | 晨昏線與星海 2026-03-18 | 3/150 |
|
|
|
[考研] 一志愿 南京航空航天大學大學 ，080500材料科學與工程學碩 +5 | @taotao 2026-03-20 | 5/250 |
|
|
|
[考研] 261求B區(qū)調(diào)劑，科研經(jīng)歷豐富 +3 | 牛奶很忙 2026-03-20 | 4/200 |
|