NANOSYSTEMS: PHYSICS, CHEMISTRY, MATHEMATICS, 2014, 5 (4), P. 540–545
CUBIC ORDERED MODIFICATION OF TITANIUM MONOXIDE WITH STRUCTURAL VACANCIES ON METAL AND NONMETAL SUBLATTICES: ELECTRONIC STRUCTURE AND STABILITY
M. G. Kostenko – Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 620990 Pervomayskaya 91, Ekaterinburg, Russia
A. V. Lukoyanov – Institute of Metal Physics, the Ural Branch of the Russian Academy of Sciences, 620990 S. Kovalevskoy 18, Ekaterinburg; Ural Federal University named after the first President of Russia B. N. Yeltsin, 620002 Mira 19, Ekaterinburg, Russia
V. P. Zhukov – Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 620990 Pervomayskaya 91, Ekaterinburg, Russia
A. A. Rempel – Institute of Solid State Chemistry, Ural Branch of the Russian Academy of Sciences, 620990 Pervomayskaya 91, Ekaterinburg; Ural Federal University named after the first President of Russia B. N. Yeltsin, 620002 Mira 19, Ekaterinburg, Russia; rempel@ihim.uran.ru, tel: +7 (343) 374 73 06, fax: +7 (343) 374 44 95
The electronic structure of the recently suggested cubic ordered phase Ti5O5(cub.) of titanium monoxide has been studied by means of accurate first-principles calculations within the density functional theory with pseudo-potential approach based on the plane wave basis. It was found that Ti5O5(cub.) is the only phase of titanium monoxide without p-d gap in the occupied states region. In this sense, calculated DOS’s of the cubic modification is closer to the experimental electronic spectrum of the ordered titanium monoxide than that of the well studied ordered monoclinic modification Ti5O5(mon.). The enthalpy of formation of Ti5O5(cub.) is higher than the enthalpy of Ti5O5(mon.) but is less than that of the disordered cubic phase TiO1.0.
Keywords: vacancies, ordering, titanium monoxide, electronic structure.
PACS 61.72.Bb, 61.72.Jd, 71.20.Ps
Just a smiling visitor here to share the love (:, btw great style and design. “The price one pays for pursuing a profession, or calling, is an intimate knowledge of its ugly side.” by James Arthur Baldwin.
pin-up oyunu: pin up az – pin up az
You are my inhalation, I own few blogs and rarely run out from to brand.
Hello very cool website!! Guy .. Beautiful .. Wonderful .. I will bookmark your website and take the feeds additionally…I’m happy to seek out numerous useful information here within the publish, we’d like develop more techniques in this regard, thank you for sharing.
you are in reality a good webmaster. The website loading pace is amazing. It sort of feels that you are doing any unique trick. Furthermore, The contents are masterwork. you’ve done a excellent activity in this topic!
Hey! Do you know if they make any plugins to safeguard against hackers? I’m kinda paranoid about losing everything I’ve worked hard on. Any recommendations?
Wohh exactly what I was searching for, regards for putting up.
Spot on with this write-up, I really assume this website needs far more consideration. I’ll probably be once more to read much more, thanks for that info.
My programmer is trying to convince me to move to .net from PHP. I have always disliked the idea because of the costs. But he’s tryiong none the less. I’ve been using Movable-type on several websites for about a year and am nervous about switching to another platform. I have heard good things about blogengine.net. Is there a way I can import all my wordpress posts into it? Any help would be greatly appreciated!
I love your blog.. very nice colors & theme. Did you create this website yourself? Plz reply back as I’m looking to create my own blog and would like to know wheere u got this from. thanks
AlphaBites Male is a dietary supplement designed to support men’s health, especially in areas related to energy, stamina, libido, and overall vitality.
O Cupom da Vez é um aplicativo inovador que permite aos usuários ganhar dinheiro extra ao avaliar produtos e cupons em categorias como vestuário, eletrônicos, itens domésticos e muito mais.
I like what you guys are up too. Such smart work and reporting! Carry on the superb works guys I have incorporated you guys to my blogroll. I think it will improve the value of my website
.
Throughout the grand design of things you actually receive an A+ for hard work. Where exactly you confused us ended up being on the facts. You know, they say, the devil is in the details… And it couldn’t be much more accurate at this point. Having said that, let me reveal to you just what exactly did deliver the results. Your text is certainly rather persuasive and this is most likely why I am taking the effort in order to comment. I do not make it a regular habit of doing that. Next, although I can certainly see a jumps in reason you come up with, I am not necessarily sure of exactly how you seem to unite the points which inturn help to make your conclusion. For now I will subscribe to your position however wish in the near future you connect the dots much better.
I?¦ll right away clutch your rss feed as I can’t find your e-mail subscription link or e-newsletter service. Do you’ve any? Please allow me realize in order that I may subscribe. Thanks.
This is a very good tips especially to those new to blogosphere, brief and accurate information… Thanks for sharing this one. A must read article.
Your place is valueble for me. Thanks!…
Excellent read, I just passed this onto a colleague who was doing a little research on that. And he just bought me lunch since I found it for him smile Thus let me rephrase that: Thank you for lunch!
Hi, Neat post. There is a problem with your website in internet explorer, would check this… IE still is the market leader and a large portion of people will miss your great writing because of this problem.
You are my intake, I own few blogs and occasionally run out from to brand.
You made some decent points there. I looked on the web for the difficulty and located most people will go along with along with your website.
I truly appreciate your piece of work, Great post.
I’ll immediately grab your rss feed as I can not find your e-mail subscription link or newsletter service. Do you’ve any? Please let me know in order that I could subscribe. Thanks.
I like this post, enjoyed this one appreciate it for putting up.
I went over this web site and I believe you have a lot of wonderful information, saved to favorites (:.
Thanks for another informative blog. Where else could I get that kind of information written in such an ideal way? I’ve a project that I’m just now working on, and I’ve been on the look out for such info.
Very efficiently written story. It will be supportive to everyone who utilizes it, including me. Keep up the good work – i will definitely read more posts.
Thank you for another magnificent post. The place else may just anyone get that kind of info in such an ideal method of writing? I’ve a presentation next week, and I’m on the search for such info.
I truly appreciate this post. I?¦ve been looking everywhere for this! Thank goodness I found it on Bing. You have made my day! Thx again
I conceive you have noted some very interesting points, regards for the post.
Hello there, You’ve performed an incredible job. I’ll definitely digg it and for my part suggest to my friends. I am confident they’ll be benefited from this website.
What i do not understood is actually how you’re now not actually a lot more smartly-favored than you may be now. You’re so intelligent. You realize thus significantly with regards to this topic, produced me in my opinion believe it from numerous varied angles. Its like men and women aren’t involved unless it is one thing to accomplish with Girl gaga! Your personal stuffs nice. At all times care for it up!
I keep listening to the news lecture about receiving boundless online grant applications so I have been looking around for the finest site to get one. Could you tell me please, where could i get some?
Very interesting information!Perfect just what I was searching for! “The medium is the message.” by Marshall McLuhan.
Hi my loved one! I want to say that this article is awesome, nice written and come with approximately all vital infos. I would like to see extra posts like this.
Hi, Neat post. There’s an issue with your web site in web explorer, could test this?K IE still is the market chief and a big section of other folks will miss your magnificent writing because of this problem.
Does your site have a contact page? I’m having a tough time locating it but, I’d like to send you an e-mail. I’ve got some creative ideas for your blog you might be interested in hearing. Either way, great blog and I look forward to seeing it expand over time.
Hi , I do believe this is an excellent blog. I stumbled upon it on Yahoo , i will come back once again. Money and freedom is the best way to change, may you be rich and help other people.
Some genuinely excellent info , Glad I discovered this.
I’m curious to find out what blog platform you have been working with? I’m having some minor security issues with my latest blog and I would like to find something more risk-free. Do you have any suggestions?
The other day, while I was at work, my cousin stole my iPad and tested to see if it can survive a 40 foot drop, just so she can be a youtube sensation. My iPad is now broken and she has 83 views. I know this is totally off topic but I had to share it with someone!
Magnificent goods from you, man. I’ve be mindful your stuff previous to and you’re simply extremely wonderful. I actually like what you’ve bought right here, certainly like what you are stating and the way through which you say it. You make it entertaining and you still care for to stay it smart. I can not wait to learn much more from you. That is actually a tremendous website.
There are some interesting deadlines in this article however I don’t know if I see all of them center to heart. There is some validity however I’ll take hold opinion until I look into it further. Good article , thanks and we wish extra! Added to FeedBurner as properly
I just couldn’t depart your web site prior to suggesting that I really loved the usual information an individual provide on your visitors? Is going to be again steadily to investigate cross-check new posts.
Your style is so unique compared to many other people. Thank you for publishing when you have the opportunity,Guess I will just make this bookmarked.2
You need to take part in a contest for top-of-the-line blogs on the web. I’ll recommend this site!
I keep listening to the newscast lecture about getting boundless online grant applications so I have been looking around for the finest site to get one. Could you advise me please, where could i get some?
I truly appreciate this post. I¦ve been looking everywhere for this! Thank goodness I found it on Bing. You have made my day! Thank you again
I think this website holds some very fantastic information for everyone. “The best friend is the man who in wishing me well wishes it for my sake.” by Aristotle.
I think other web site proprietors should take this site as an model, very clean and fantastic user genial style and design, let alone the content. You’re an expert in this topic!
I’ve been absent for a while, but now I remember why I used to love this blog. Thanks, I’ll try and check back more frequently. How frequently you update your site?
obviously like your website but you need to check the spelling on quite a few of your posts. Many of them are rife with spelling issues and I in finding it very troublesome to inform the reality on the other hand I will definitely come back again.
Very good written post. It will be beneficial to anyone who usess it, as well as me. Keep doing what you are doing – for sure i will check out more posts.
Hi there, just became aware of your blog through Google, and found that it is really informative. I am gonna watch out for brussels. I’ll appreciate if you continue this in future. Many people will be benefited from your writing. Cheers!
I couldn’t resist commenting
Rattling wonderful information can be found on blog.
Nice post. I was checking constantly this weblog and I am inspired! Very useful info specially the final phase
I maintain such information a lot. I used to be looking for this particular info for a very lengthy time. Thank you and best of luck.
Really nice style and fantastic subject material, very little else we require : D.
I’ll right away grasp your rss feed as I can’t to find your e-mail subscription hyperlink or e-newsletter service. Do you have any? Kindly allow me know so that I may just subscribe. Thanks.
Very interesting details you have mentioned, regards for posting.
Thanks a bunch for sharing this with all of us you actually understand what you’re speaking approximately! Bookmarked. Please additionally visit my web site =). We can have a hyperlink change arrangement among us!
I do agree with all of the ideas you have presented in your post. They are really convincing and will certainly work. Still, the posts are very short for newbies. Could you please extend them a little from next time? Thanks for the post.
Wow! Thank you! I continually needed to write on my blog something like that. Can I include a fragment of your post to my site?
Heya i am for the first time here. I came across this board and I to find It really helpful & it helped me out a lot. I am hoping to give one thing again and aid others like you aided me.
I like this post, enjoyed this one appreciate it for putting up. “The basis of optimism is sheer terror.” by Oscar Wilde.
Today, I went to the beach with my children. I found a sea shell and gave it to my 4 year old daughter and said “You can hear the ocean if you put this to your ear.” She put the shell to her ear and screamed. There was a hermit crab inside and it pinched her ear. She never wants to go back! LoL I know this is completely off topic but I had to tell someone!
An impressive share, I just given this onto a colleague who was doing a little analysis on this. And he in fact bought me breakfast because I found it for him.. smile. So let me reword that: Thnx for the treat! But yeah Thnkx for spending the time to discuss this, I feel strongly about it and love reading more on this topic. If possible, as you become expertise, would you mind updating your blog with more details? It is highly helpful for me. Big thumb up for this blog post!
I got good info from your blog
I simply could not leave your web site before suggesting that I extremely enjoyed the usual information an individual supply to your guests? Is gonna be again frequently to check out new posts.
Whats up! I simply want to give a huge thumbs up for the great information you have right here on this post. I can be coming back to your blog for extra soon.
You actually make it appear really easy with your presentation but I find this matter to be actually one thing that I believe I might never understand. It kind of feels too complex and very large for me. I am looking forward on your next publish, I?¦ll try to get the dangle of it!
I cling on to listening to the news bulletin talk about getting boundless online grant applications so I have been looking around for the most excellent site to get one. Could you advise me please, where could i get some?
You need to participate in a contest for among the finest blogs on the web. I’ll recommend this website!
You made some nice points there. I looked on the internet for the subject and found most people will approve with your blog.
Hello, Neat post. There is an issue with your website in internet explorer, might check this?K IE still is the marketplace chief and a huge element of other people will leave out your magnificent writing due to this problem.
Hi, Neat post. There is a problem with your website in internet explorer, would check this… IE still is the market leader and a good portion of people will miss your excellent writing because of this problem.
I am glad to be one of many visitants on this outstanding internet site (:, thanks for putting up.
very good put up, i certainly love this web site, carry on it
Fascinating blog! Is your theme custom made or did you download it from somewhere? A design like yours with a few simple adjustements would really make my blog stand out. Please let me know where you got your design. Thanks
Your house is valueble for me. Thanks!…
Just desire to say your article is as surprising. The clarity on your put up is simply great and i could suppose you are knowledgeable on this subject. Fine with your permission allow me to snatch your RSS feed to keep up to date with imminent post. Thanks one million and please carry on the rewarding work.
Thanks for this fantastic post, I am glad I observed this web site on yahoo.
I am continually invstigating online for articles that can aid me. Thx!
Hello there, I found your web site via Google while searching for a related topic, your site came up, it looks good. I have bookmarked it in my google bookmarks.
Hiya! I know this is kinda off topic however I’d figured I’d ask. Would you be interested in trading links or maybe guest writing a blog article or vice-versa? My blog goes over a lot of the same subjects as yours and I believe we could greatly benefit from each other. If you happen to be interested feel free to shoot me an e-mail. I look forward to hearing from you! Great blog by the way!
great points altogether, you simply gained a brand new reader. What would you recommend about your post that you made some days ago? Any positive?
I conceive other website proprietors should take this website as an example , very clean and great user friendly style.
Hello, you used to write great, but the last few posts have been kinda boring… I miss your tremendous writings. Past several posts are just a little out of track! come on!
Great post. I was checking continuously this blog and I’m impressed! Very useful information specially the last part
I care for such information much. I was seeking this particular information for a very long time. Thank you and best of luck.
You made some good points there. I looked on the internet for the issue and found most guys will consent with your blog.
Write more, thats all I have to say. Literally, it seems as though you relied on the video to make your point. You definitely know what youre talking about, why throw away your intelligence on just posting videos to your blog when you could be giving us something enlightening to read?
I was very pleased to find this web-site.I wanted to thanks for your time for this wonderful read!! I definitely enjoying every little bit of it and I have you bookmarked to check out new stuff you blog post.
Sweet web site, super style and design, real clean and employ friendly.
Wow! Thank you! I continually needed to write on my website something like that. Can I take a fragment of your post to my blog?
Outstanding post, you have pointed out some wonderful details , I too believe this s a very great website.
Hi there! This post couldn’t be written any better! Reading through this post reminds me of my previous room mate! He always kept talking about this. I will forward this article to him. Pretty sure he will have a good read. Thank you for sharing!
Wow, incredible blog layout! How long have you been blogging for? you made blogging look easy. The overall look of your web site is fantastic, as well as the content!
Your place is valueble for me. Thanks!…
I have been examinating out many of your stories and i must say nice stuff. I will surely bookmark your blog.
After examine just a few of the weblog posts on your web site now, and I truly like your way of blogging. I bookmarked it to my bookmark website list and can be checking back soon. Pls take a look at my web site as well and let me know what you think.
I don’t even know how I ended up here, but I thought this post was great. I do not know who you are but definitely you’re going to a famous blogger if you are not already
Cheers!
It is truly a great and helpful piece of info. I am glad that you just shared this helpful information with us. Please stay us up to date like this. Thank you for sharing.
F*ckin’ amazing issues here. I’m very satisfied to see your article. Thank you so much and i’m taking a look ahead to touch you. Will you kindly drop me a mail?
Some truly prize content on this website , bookmarked.
You actually make it appear so easy along with your presentation but I to find this topic to be really one thing which I feel I might never understand. It kind of feels too complicated and very extensive for me. I am looking ahead on your next submit, I?¦ll try to get the hold of it!
Thank you for the auspicious writeup. It in fact was a amusement account it. Look advanced to more added agreeable from you! However, how could we communicate?
Excellent blog here! Also your web site loads up fast! What web host are you using? Can I get your affiliate link to your host? I wish my site loaded up as fast as yours lol
Some genuinely fantastic work on behalf of the owner of this site, utterly outstanding subject material.
An interesting discussion is price comment. I feel that you must write extra on this subject, it won’t be a taboo subject but generally people are not enough to talk on such topics. To the next. Cheers
I am continuously looking online for ideas that can benefit me. Thx!
Hello my family member! I want to say that this post is amazing, great written and come with approximately all significant infos. I would like to peer more posts like this .
I went over this website and I think you have a lot of wonderful information, saved to my bookmarks (:.
Its such as you learn my mind! You seem to understand a lot about this, like you wrote the e book in it or something. I think that you could do with a few percent to drive the message house a little bit, however other than that, this is wonderful blog. An excellent read. I’ll certainly be back.
I’m not that much of a internet reader to be honest but your blogs really nice, keep it up! I’ll go ahead and bookmark your site to come back later on. Cheers
Keep working ,fantastic job!
Cupom da vez funciona
Great blog here! Also your web site loads up very fast! What host are you using? Can I get your affiliate link to your host? I wish my web site loaded up as fast as yours lol
Loving the info on this website , you have done great job on the blog posts.
Hi! I could have sworn I’ve been to this website before but after browsing through some of the post I realized it’s new to me. Nonetheless, I’m definitely delighted I found it and I’ll be bookmarking and checking back often!
Only a smiling visitant here to share the love (:, btw outstanding design and style. “The price one pays for pursuing a profession, or calling, is an intimate knowledge of its ugly side.” by James Arthur Baldwin.
You have mentioned very interesting points! ps decent site. “Every man over forty is a scoundrel.” by George Bernard Shaw.
Appreciate it for this grand post, I am glad I noticed this website on yahoo.
Good website! I truly love how it is easy on my eyes and the data are well written. I am wondering how I could be notified whenever a new post has been made. I have subscribed to your feed which must do the trick! Have a nice day!
You have noted very interesting details ! ps nice website .
Thank you for the sensible critique. Me & my neighbor were just preparing to do a little research about this. We got a grab a book from our area library but I think I learned more from this post. I’m very glad to see such great information being shared freely out there.
I enjoy you because of all of your work on this website. My aunt really likes carrying out internet research and it’s really easy to understand why. All of us hear all concerning the lively form you convey functional guidance through this web blog and as well encourage contribution from people on this content then our child is undoubtedly discovering a lot of things. Take advantage of the remaining portion of the new year. You have been carrying out a very good job.
Mitolyn reviews
Thank you for sharing with us, I believe this website truly stands out : D.
Lottery defeater
I dugg some of you post as I cerebrated they were very beneficial extremely helpful
Thanks for another informative site. The place else may just I am getting that kind of information written in such an ideal way? I’ve a undertaking that I’m just now working on, and I’ve been at the glance out for such info.
Greetings! Very helpful advice on this article! It is the little changes that make the biggest changes. Thanks a lot for sharing!
An attention-grabbing dialogue is price comment. I believe that it is best to write extra on this subject, it may not be a taboo topic but usually individuals are not sufficient to talk on such topics. To the next. Cheers
My brother recommended I might like this web site. He was totally right. This post truly made my day. You can not imagine simply how much time I had spent for this information! Thanks!
ProstaVive
Excellent blog here! Also your web site loads up fast! What host are you using? Can I get your affiliate link to your host? I wish my web site loaded up as fast as yours lol
Mitolyn review
I’ve been surfing online greater than 3 hours today, yet I by no means discovered any fascinating article like yours. It is pretty value enough for me. In my view, if all webmasters and bloggers made good content material as you did, the net will probably be much more helpful than ever before.
You have brought up a very good details, thankyou for the post.
Somebody essentially help to make seriously articles I would state. This is the very first time I frequented your web page and thus far? I amazed with the research you made to make this particular publish amazing. Fantastic job!
My programmer is trying to convince me to move to .net from PHP. I have always disliked the idea because of the expenses. But he’s tryiong none the less. I’ve been using WordPress on a variety of websites for about a year and am nervous about switching to another platform. I have heard excellent things about blogengine.net. Is there a way I can import all my wordpress posts into it? Any help would be really appreciated!
Gumaktiv
hey there and thank you for your info – I’ve definitely picked up anything new from right here. I did however expertise some technical points using this website, as I experienced to reload the website many times previous to I could get it to load correctly. I had been wondering if your web host is OK? Not that I am complaining, but slow loading instances times will sometimes affect your placement in google and can damage your high-quality score if advertising and marketing with Adwords. Anyway I’m adding this RSS to my email and can look out for a lot more of your respective intriguing content. Make sure you update this again very soon..
You got a very good website, Sword lily I discovered it through yahoo.
Hey, I think your website might be having browser compatibility issues. When I look at your website in Ie, it looks fine but when opening in Internet Explorer, it has some overlapping. I just wanted to give you a quick heads up! Other then that, great blog!
This site is my inspiration , real superb pattern and perfect subject material.
You actually make it appear so easy along with your presentation however I find this matter to be actually something which I believe I might by no means understand. It kind of feels too complex and very broad for me. I’m having a look forward for your next publish, I will try to get the hold of it!
Quietum plus
Hello.This post was extremely fascinating, especially because I was browsing for thoughts on this subject last Wednesday.
Good V I should definitely pronounce, impressed with your web site. I had no trouble navigating through all tabs as well as related info ended up being truly simple to do to access. I recently found what I hoped for before you know it in the least. Quite unusual. Is likely to appreciate it for those who add forums or anything, website theme . a tones way for your client to communicate. Excellent task..
I love your blog.. very nice colors & theme. Did you create this website yourself? Plz reply back as I’m looking to create my own blog and would like to know wheere u got this from. thanks
Nagano Lean Body Tonic
Provadent
I do like the manner in which you have presented this specific concern plus it really does present me personally some fodder for thought. On the other hand, through what I have seen, I just simply hope when the responses pile on that men and women continue to be on issue and not start upon a soap box regarding the news du jour. Anyway, thank you for this excellent piece and although I can not really concur with the idea in totality, I value the perspective.
Great site. Lots of helpful information here. I am sending it to a few pals ans additionally sharing in delicious. And of course, thank you in your effort!
F*ckin¦ awesome things here. I am very satisfied to peer your post. Thanks a lot and i am looking forward to touch you. Will you please drop me a mail?
Some really nice stuff on this internet site, I love it.
What’s Happening i’m new to this, I stumbled upon this I have found It absolutely useful and it has aided me out loads. I hope to contribute & help other users like its helped me. Good job.
Mitolyn review
Dead written articles, thank you for selective information. “Life is God’s novel. Let him write it.” by Isaac Bashevis Singer.
Very interesting info !Perfect just what I was searching for!
Very nice post. I just stumbled upon your blog and wanted to mention that I have really loved surfing around your blog posts. After all I will be subscribing to your rss feed and I’m hoping you write again soon!
It is truly a nice and useful piece of info. I am glad that you just shared this helpful information with us. Please keep us up to date like this. Thanks for sharing.
I haven’t checked in here for some time since I thought it was getting boring, but the last several posts are good quality so I guess I’ll add you back to my daily bloglist. You deserve it my friend
I like the valuable information you provide in your articles. I’ll bookmark your weblog and check again here regularly. I am quite certain I will learn many new stuff right here! Best of luck for the next!
Mitolyn
I will immediately grasp your rss as I can’t in finding your e-mail subscription link or newsletter service. Do you have any? Please permit me recognize so that I may subscribe. Thanks.
Howdy very cool web site!! Man .. Beautiful .. Wonderful .. I’ll bookmark your website and take the feeds additionally…I am happy to search out numerous helpful information right here in the submit, we want work out extra techniques in this regard, thanks for sharing. . . . . .
As a Newbie, I am permanently searching online for articles that can benefit me. Thank you
Hello! I could have sworn I’ve been to this blog before but after browsing through some of the post I realized it’s new to me. Anyways, I’m definitely happy I found it and I’ll be book-marking and checking back frequently!
you are really a good webmaster. The site loading speed is amazing. It seems that you are doing any unique trick. Furthermore, The contents are masterpiece. you’ve done a magnificent job on this topic!