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KTH - yal Instit ute of Technology, Stock holm SE - 10044, Sweden. KTH - Royal Institute of Technology, Stock holm SE - 10044, Sweden. cSchoolof Material Science and Engineering, Harbin Institute of Technology, Harbin 150001, China dDepartmentof Material Science and Engineering,4 KTH-Royal Institute Technology, Stockholm, SE-10044, Sweden More about this open access article on DOAJ. DOAJ is an online directory that indexes and provides access to quality open access, peer-reviewed journals. The electronic structure and chemical bonding of Cu(i) compounds with O and/or H are investigated using ab initio calculations based on density functional theory. A hybrid functional PBE0 is employed, which accurately reproduces an experimental band gap … Korzhavyi, Pavel KTH Royal Institute of Technology, Stockholm, Sweden. 2018 (English) In: Physical Review Materials, E-ISSN 2475-9953, Vol. 2, no 3, article id 033603 Article in journal (Refereed) Published In the year 2011, we published our paper on the thermodynamic modeling of the Fe-Cr system in the CALPHAD journal.

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Yunguo Li, Pavel A. Korzhavyi, Journal of Nuclear Materials 462, 160 (2015). II Defect Chemistry and Ductile-to-brittle Transition in Polycrystalline Cu Metal Yunguo Li, Rolf Sandstrom and Pavel A. Korzhavyi, In manuscript. III Bonding Topology and Antiferroelectric Order in Cuprice, CuOH Pavel Korzhavyi, KTH, Sweden. 15.40–16.05 In-situ observation of structural processes in materials by laser-based ultrasonic methods Michal Landa, Institute of Thermomechanics, Czech Republic. 16.05–16.30 Numerical simulation of ulrasonic attenuation by a bimodal grain size polycrystal Jean-Hubert Schmitt, University Paris-Saclay, France Pavel Korzhavyi Affiliation: KTH Royal Institute of Technology: Duration: 2012-02-17 – 2013-03-01: Classification: 150404 150401 166200: Keywords: ab-initio, Fe-Cr, spinodal decomposition Anatoly B. Belonoshko, David Andersson, Pavel Korzhavyi, Levente Vitos, and Börje Johansson.

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Ab Initio Studies of Defects in Indium Phosphide Mats Wallin, Anders Vestergren, Marios Nikolaou, and Jack Lidmar.

7, Aziz Amini, 1997 1, Pavel Hoffman, 2007, Gottsunda IF, 10.68, Q. 2, Isak Skoglund, 2007  Pavel Korzhavy, Works for: UNIT OF PROPERTIES, E-mail: pavelk@kth.se, Telephone: +46 8 790 91 93, Address: BRINELLVÄGEN 23 Pavel A Korzhavyi A generalization of the statistical (Monte Carlo) simulation technique for determining the structure of alloys is proposed. It takes into account the dependence of effective Read 40 articles by Pavel A. Korzhavyi of The Royal Institute of Technology (KTH) on ScienceDirect, the world's leading source for scientific, technical, and medical research. Pavel A. Korzhavyi The formation of islands of O-atoms is the dominant mode of growth of the oxide in the first stages of oxidation of Al (1 1 1). It is however unknown if a similar mechanism Ass. Prof. Pavel Korzhavyi - Expert ab initio Prof KTH Royal Institute of Technology SE-100 44 Stockholm Sweden +46 8 790 60 00. Pavel Korzhavyi, KTH Royal Institute of Technology. Greta Lindwall, KTH Royal Institute of Technology.
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Olena Sevastyanova Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology (KTH), SE-100 44 Stockholm, Sweden. pavel@met.kth.se. Pavel Korzhavyi, KTH, Sweden. 15.40–16.05 In-situ observation of structural processes in materials by laser-based ultrasonic methods.

Ab Initio Studies of Defects in Indium Phosphide Mats Wallin, Anders Vestergren, Marios Nikolaou, and Jack Lidmar. Hoppa till huvudinnehållet.
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Jaroslav Burda* Charles University, CZECH REPUBIC. Kazunari Domen. The University of Tokyo, JAPAN. Alessandro Genoni* Université de Lorraine, FRANCE. Andrei L Tchougréeff. Moscow State University, RUSSIA.