| 查看: 2812 | 回复: 9 | |||
[交流]
这审稿人真奇葩 ！！！！(一个太专业，一个太水，汗）已有8人参与
|
前几天审了一个稿子 无意看看其它人给稿子的意见 一看吓一跳 。 QQ圖片20140312111539.jpg PCS-D-14-00219 “Theoretical study of the structural, elastic, electronic and optical properties of XCaF3 (X = K and Rb)” Original Submission Reviewer 2 Reviewer Recommendation Term: Minor Revision Overall Reviewer Manuscript Rating: N/A Comments to Author: After carefully reading the manuscript "Theoretical study of the structural, elastic, electronic and optical properties of XCaF3 (X = K and Rb)", i found that the manuscript present very good results and well organized but it lack of several references which support the finding. For example in the introduction part page # 3, after the sentence " The use of first principles calculations offers one of the most powerful tools for carrying out theoretical studies of an important number of physical and chemical properties of the condensed matter with great accuracy [10, 11]." i encourage the authors to cite these references: J. Phys. Chem. B 2009, 113, 12648-12654 J. Phys. Chem. B 2010, 114, 1815-1821 Phys. Chem. Chem. Phys., 2010, 12, 2975-2980 PHYSICAL REVIEW B 68, 195107 (2003) PHYSICAL REVIEW B 68, 125101 (2003) Physica B 369 (2005) 243-253 J MATER SCI 41 (2006) 1927-1932 PHYSICAL REVIEW B 75, 245120 (2007) THE JOURNAL OF CHEMICAL PHYSICS 129, 204111 (2008) Appl. Phys. A 91, 451-457 (2008) Current Opinion in Solid State and Materials Science 11 (2007) 33-39 J. Phys.: Condens. Matter 20 (2008) 325213 J. Phys.: Condens. Matter 20 (2008) 145209 Journal of Solid State Chemistry 181 (2008) 789-795 Current Opinion in Solid State and Materials Science 12 (2009) 26-31 J. Phys. Chem. B 2010, 114, 16705-16712 J. Mater. Chem., 2011, 21, 17219-17228 J. Phys. Chem. B 2013, 117, 2545−2553 At Page # 6, after the sentence " high-symmetry X, R, M and Г in the first Brillouin zone" i encourage the authors to cite these references: Int. J. Electrochem. Sci., 8 (2013) 10396 - 10423 Int. J. Electrochem. Sci., 9 (2014) 445 - 459 Int. J. Electrochem. Sci., 9 (2014) 460 - 477 At page # 7, after the sentence " The effective charge-carrier mass is one of the main factors that determine the transport properties and electrical conductivity of a material" i encourage the authors to cite these references: Int. J. Electrochem. Sci., 9 (2014) 975 - 989" J. Phys. Chem. B 2013, 117, 15220−15231 RSC Adv., 2014, 4, 6957 RSC Adv., 2014, 4, 11967 i would like to see the revised version before i give the final decision PCS-D-14-00219 “Theoretical study of the structural, elastic, electronic and optical properties of XCaF3 (X = K and Rb)” Original Submission Reviewer 4 Reviewer Recommendation Term: Major Revision Overall Reviewer Manuscript Rating: 65 Comments to Author: The paper describes first-principles calculations of various properties of KCaF3 and RbCaF3 two halide perovskites. The emphasis is on elastic constants and related properties and on dependence of band structure and optical properties on pressure. I am not sure whether the pressure properties are of particular interest for these materials, but in general knowledge about this could potentially be useful in the future. However a few points need to be corrected to make the paper publishable. 1) In the introduction the authors write" The preparation of perovskites XCaF3 (X = K and Rb) followed the procedure ….by a slow cooling of the ampoule." This sounds as if the present authors are preparing the material which is misleading. There is no need in the introduction to give the preparation details of how others make the material. This is a theory paper after all! Recommendation: shorten this. 2) In the perovskite structure the F ions sit at the face center of the cube or (1/2, 1/2,0) , not (0.5,0,0) as stated by the authors. This is probably just a typo. Furthermore in this section describing the crystal structure, if they give the Wyckoff site number as 1a, 1b etc. they should also give the space group. One question I have concerning the crystal structure: in many perovskites there are phase transitions to lower symmetry by octahedron rotation, tilting, twisting and distortion… Do any of these occur for these materials? The paper focuses only on the cubic perovskite structure but is that the structure at all temperatures and in particular, since they study pressure effects, is it the preferred structure at all pressures? 3) The authors calculate the elastic constants, which is useful and various derived quantities, and seem particularly proud of the figure giving the Young's modulus as function of direction. I don't think that this is so remarkable but in any case, with respect to fig. 2, what is the meaning of the colors? I suspect it has no meaning because why would up be different from down in a cubic material. Is it just somehow the lighting in the figure? Also, I don't really think it is necessary to show it in the 3D and the 2D projected versions. Recommendation: clarify figure caption, if meaningless, remove the color and simplify the figure by removing the 2D figures. 4) Band structure plots. The authors do not show any states below -3 eV. Somewhere below that must be the F s2 stets and possibly also K or Ca semi core states if treated as bands. It would be useful to know where these bands lie to see which states might push up the VB at certain k-points. 5) The orange line for the Fermi level obscures the bands at the VBM. Once they state the zero of energy is chosen at the VBM there is no need to draw the Fermi level. Furthermore, it might be useful to give a zoom in near the VBM, to see the fine structure and to see that the VBM occurs at R rather than Gamma. The question I have, can one understand from a tight-binding picture or otherwise why the CBM occurs at Gamma and the VBM at R? My guess it has something to do with the relative positions of K and Ca s levels, and the fact that K sits at the corners of the BZ while Ca sits at the center of the cube and is thus differently coordinated by F. Recommendation: optional additional study to interpret results. 6) My guess is that the VBM at R is doubly or triply degenerate. I can't quite see but that is why I ask for a zoom in on this region of energy. Also, in that case, one needs to perhaps look at the masses for both heavy and light hole bands. Ideally one would fit a Kohn-Luttinger type Hamiltonian in that case, instead of just giving masses in different directions. So, the information given here on masses is not complete enough to really be useful to people who would want to use this information in modeling transport. 7) In the labels in Fig. 4 does the superscript refer to VBM and subscript refer to CB or the other way around? Please specify. The most interesting aspect here is the crossing to direct gap above a certain pressure. This must correspond to the VBM moving to the Gamma point. Can this transition be understood. What is different in the VBM at Gamma and R in terms of atomic orbital character and why does one shift different as function of pressure than the other. These are questions one could try to understand using a tight-binding model parameterization of the bands. This is an optional suggestion to the authors for additional work geared to providing understanding instead of merely results. 8) Fig. 5, Recommendation: as in the band structure expand to lower energy scale so we see other deeper bands. 9) "All these parameters increase with increasing pressure, except the decrease on C44 is weaker" is confusing. replace by ,"except C44 which slightly decreases with pressure." 10) In figure 8 give units for y-axis absorption. (in cm^-1) ? Also for fig. 5 DOS are in states per unit cell/eV if properly normalized. Check and provide units. 11) Typo in table 4 KCaF3 occurs twice. I suspect second on is RbCaF3. 12) Discussion of optical properties. The peaks at 10 and 15 eV must correspond to regions of parallel bands. It would be useful perhaps to plot differences between various CB and VB pairs and to plot just joint density of states without matrix elements to identify if the structure seen in epsilon2 corresponds simply to joint DOS effects and to identify which regions in the CB or VB the parallel bands correspond to that give rise to the maxima. The upward shift of the curves with increasing pressure is of course due to the band gap increase. I am not sure if we learn anything else from these curves. Perhaps, the peaks in eps2 can be associated with particular high energy direct gaps at particular k-points. Then the information on how these curves change with pressure would be related to fig. 4. But as it stands it does not provide much useful insight. 13) Can the gaps be compared to experiment. It is well known that LDA/GGA underestimates gaps. Can estimates be made of the corrections? In summary: the authors provide some results on these not so much studied materials. However, the paper does not provide much insights into the why of the results? In some sense delving into the high-pressure properties of these materials is premature if one doesn't even understand the basics of their electronic structure or the trends. Nonetheless, perhaps some of the detailed results on pressure derivatives may some day become relevant. So, my recommendation is publish after the authors fix the mistakes pointed out and consider the optional suggestions for making their paper more relevant and insightful. [ Last edited by 416726641 on 2014-3-12 at 14:21 ] |
回复此楼» 猜你喜欢
一审一个审稿人，小修，会怎么样呀？
已经有5人回复
-
特别资助审核状态
已经有6人回复
-
国自然青年基金只有一篇能第一标注，其他都是第二标注能结题吗？
已经有5人回复
-
杭州国企和浙江高校如何选择？
已经有20人回复
-
某系主任被同校教授举报包养情妇、长期嫖娼
已经有13人回复
-
发个文章，结果被某学报请的外审PUA了
已经有8人回复
-
估计今年青基又没戏
已经有8人回复
-
267求调剂
已经有3人回复
-
聚氨酯丙烯酸酯预聚体合成
已经有6人回复
-
298求调剂
已经有7人回复
» 本主题相关价值贴推荐，对您同样有帮助:
- 二区的，大修，有位审稿人怀疑数据算错了，结果还真算错了。怎么回应，求大神指点！
已经有106人回复
- 审稿人意见，求各位虫友有帮忙看看，不懂什么意思，谢啦！
已经有3人回复
- 一篇文章，四轮审稿，三轮仲裁，五个审稿人，最后被拒！大家来看看
已经有48人回复
- 审稿近8个月被拒，郁闷！
已经有4人回复
- Journal of Experimental Nanoscience编辑推荐另一个杂志，请问我该怎么办？
已经有3人回复
- 机械工程学报英文版的录用概率
已经有63人回复
- 两个审稿人都是负面意见，编辑还要求修改，这是什么情况
已经有25人回复
- 如此奇葩的审稿意见改如何恢复？
已经有4人回复
- 投稿一周被拒,不是editor是reviewer拒绝的,这是咋回事啊
已经有25人回复
- 欲哭无泪，悲催的投稿经历
已经有11人回复
- 这里的虫友投稿有没有遇到过审稿人要求在你的文章里加名这样的事情啊
已经有56人回复
- 中国物理快报-第三次换审稿人了(已发表)！
已经有16人回复
- 由于编辑发错了审稿意见，编辑拒稿，怎么办？
已经有41人回复
- 投了一篇OL，状态这么悲催。。16个审稿邀请！！
已经有23人回复
- 分享一下我经历的学术界的一朵奇葩
已经有40人回复
- 遇到奇葩编辑部：拒稿后不久，编辑竟又发来审稿意见
已经有17人回复
- 论文技术审查被退回，帮忙看看这句话什么意思啊
已经有5人回复
- 审稿状态变化:是意见不统一？还是拒审?
已经有17人回复
 |
2楼2014-03-12 11:23:39
frer
铁杆木虫 (正式写手)
- 应助: 68 (初中生)
- 金币: 6229.2
- 红花: 4
- 帖子: 502
- 在线: 623.6小时
- 虫号: 350211
- 注册: 2007-04-20
- 性别: GG
- 专业: 大气化学
3楼2014-03-12 12:32:26
xgj2008best
至尊木虫 (知名作家)
- 应助: 66 (初中生)
- 金币: 11556.8
- 散金: 359
- 红花: 13
- 帖子: 7081
- 在线: 1072.7小时
- 虫号: 1320746
- 注册: 2011-06-11
- 专业: 计算数学与科学工程计算
4楼2014-03-12 12:38:58
liwenlei
木虫 (正式写手)
Dr.
- 应助: 172 (高中生)
- 金币: 2869.8
- 散金: 87
- 红花: 10
- 帖子: 725
- 在线: 185.7小时
- 虫号: 502993
- 注册: 2008-02-15
- 性别: GG
- 专业: 电力系统
5楼2014-03-12 12:44:01
6楼2014-03-12 13:01:35
wshgaoshan
铁杆木虫 (著名写手)
- 应助: 102 (高中生)
- 金币: 5659.2
- 散金: 108
- 红花: 23
- 帖子: 2606
- 在线: 99.3小时
- 虫号: 2966139
- 注册: 2014-02-13
- 性别: GG
- 专业: 科学技术统计学
7楼2014-03-12 13:12:56
makunjida
至尊木虫 (知名作家)
- 应助: 1291 (讲师)
- 金币: 18084.3
- 散金: 338
- 红花: 38
- 帖子: 7544
- 在线: 399小时
- 虫号: 1578528
- 注册: 2012-01-15
- 专业: 计算机软件
8楼2014-03-12 14:18:12
9楼2014-03-12 14:27:32
zjwang1980
木虫 (正式写手)
- 应助: 146 (高中生)
- 金币: 1833.7
- 散金: 378
- 红花: 12
- 帖子: 833
- 在线: 292.4小时
- 虫号: 1053565
- 注册: 2010-07-07
- 专业: 计算机应用技术
10楼2014-03-12 17:55:10
10