Amphoteric defects in GaAs leading to Fermi-level pinning: A hybrid functional studyCOLLEONI, Davide; PASQUARELLO, Alfredo.Microelectronic engineering. 2013, Vol 109, pp 50-53, issn 0167-9317, 4 p.Article

The O_As defect in GaAs: A hybrid density functional studyCOLLEONI, Davide; PASQUARELLO, Alfredo.Applied surface science. 2014, Vol 291, pp 6-10, issn 0169-4332, 5 p.Conference Paper

Dependence of electronic properties of germanium on the in-plane biaxial tensile strainsYANG, C. H; YU, Z. Y; LIU, Y. M et al.Physica. B, Condensed matter. 2013, Vol 427, pp 62-67, issn 0921-4526, 6 p.Article

Hybrid density functional investigations of Li₂MSiO₄ (M = Mn, Fe and Co) cathode materialsZHANG, P; ZHENG, Y; WU, S. Q et al.Computational materials science. 2014, Vol 83, pp 45-50, issn 0927-0256, 6 p.Article

Identification of defect levels at In_xGa_1―xAs/oxide interfaces through hybrid functionalsKOMSA, Hannu-Pekka; PASQUARELLO, Alfredo.Microelectronic engineering. 2011, Vol 88, Num 7, pp 1436-1439, issn 0167-9317, 4 p.Conference Paper

Trends in non-metal doping of anatase Ti0₂: B, C, N and FDI VALENTIN, Cristiana; PACCHIONI, Gianfranco.Catalysis today (Print). 2013, Vol 206, pp 12-18, issn 0920-5861, 7 p.Article

First-principles study of the effect of Bi_Ga heteroantisites in GaAs:Bi alloyDECHUN LI; MING YANG; SHENGZHI ZHAO et al.Computational materials science. 2012, Vol 63, pp 178-181, issn 0927-0256, 4 p.Article

Intrinsic defects in GaAs and InGaAs through hybrid functional calculationsKOMSA, Hannu-Pekka; PASQUARELLO, Alfredo.Physica. B, Condensed matter. 2012, Vol 407, Num 15, pp 2833-2837, issn 0921-4526, 5 p.Conference Paper

Simulation-based validation of the p53 transcriptional activity with hybrid functional petri netDOI, Atsushi; NAGASAKI, Masao; MATSUNO, Hiroshi et al.In silico biology (Gedrukt). 2006, Vol 6, Num 1-2, pp 1-13, issn 1386-6338, 13 p.Article

Electronic and magnetism properties of half-bare zigzag silicon carbon nanoribbons from hybrid density functional calculationsTANG, Zhen-Kun; WANG, Ling-Ling; TANG, Li-Ming et al.Solid state communications. 2013, Vol 158, pp 25-28, issn 0038-1098, 4 p.Article

A hybrid functional study of the electronic and optical properties of tetragonal PbO-type phase of ZnO under pressureQINGBO WANG; YANWEI WEN; RONG CHEN et al.Journal of alloys and compounds. 2014, Vol 586, pp 611-615, issn 0925-8388, 5 p.Article

Electronic and mechanical properties of Cr₂GeC with hybrid functional and correlation effectsRAMZAN, M; LEBEGUE, S; AHUJA, R et al.Solid state communications. 2012, Vol 152, Num 13, pp 1147-1149, issn 0038-1098, 3 p.Article

Modeling basic components of solid oxide fuel cells using density functional theory: Bulk and surface properties of CeO₂DESAUNAY, Thomas; RINGUEDE, Armelle; CASSIR, Michel et al.Surface science. 2012, Vol 606, Num 3-4, pp 305-311, issn 0039-6028, 7 p.Article

Li-related defects in ZnO: Hybrid functional calculationsCARVALHO, A; ALKAUSKAS, A; PASQUARELLO, Alfredo et al.Physica. B, Condensed matter. 2009, Vol 404, Num 23-24, pp 4797-4799, issn 0921-4526, 3 p.Conference Paper

First-principles investigations of electronic and mechanical properties for stable Ge₂Sb₂Te₅ with van der Waals correctionsSA, Baisheng; JIAN ZHOU; AHUJA, Rajeev et al.Computational materials science. 2014, Vol 82, pp 66-69, issn 0927-0256, 4 p.Article

Analysis of time-varying singular bilinear systems by hybrid functionsMARZBAN, H. R; RAZZAGHI, M; SHAFIEE, M et al.International journal of systems science. 2008, Vol 39, Num 3, pp 229-235, issn 0020-7721, 7 p.Article

Oxide-free hybrid silicon nanowires: From fundamentals to applied nanotechnologyBASHOUTI, Muhammad Y; SARDASHTI, Kasra; SCHMITT, Sebastian W et al.Progress in surface science. 2013, Vol 88, Num 1, pp 39-60, issn 0079-6816, 22 p.Article

Epitaxial growth and electronic structure of a layered zinc pnictide semiconductor, β-BaZn₂As₂ZEWEN XIAO; RAN, Fan-Yong; HIRAMATSU, Hidenori et al.Thin solid films. 2014, Vol 559, pp 100-104, issn 0040-6090, 5 p.Conference Paper

Numerical integration of multi-dimensional highly oscillatory, gentle oscillatory and non-oscillatory integrands based on wavelets and radial basis functionsSIRAJ-UL-ISLAM; AZIZ, Imran; KHAN, Wajid et al.Engineering analysis with boundary elements. 2012, Vol 36, Num 8, pp 1284-1295, issn 0955-7997, 12 p.Article

Hybrid function method for solving Fredholm and Volterra integral equations of the second kindHSIAO, Chun-Hui.Journal of computational and applied mathematics. 2009, Vol 230, Num 1, pp 59-68, issn 0377-0427, 10 p.Article

Orbital gap predictions for rational design of organic photovoltaic materialsPHILLIPS, Heidi; ZILONG ZHENG; GEVA, Eitan et al.Organic electronics (Print). 2014, Vol 15, Num 7, pp 1509-1520, issn 1566-1199, 12 p.Article

Studies on the electronic structure of Ag₂NiO₂, an intercalated delafossite containing subvalent silverWEDIG, Ulrich; ADLER, Peter; NUSS, Jürgen et al.Solid state sciences. 2006, Vol 8, Num 7, pp 753-763, issn 1293-2558, 11 p.Article

Numerical solutions of linear time-varying descriptor systems via hybrid functionsHSIAO, Chun-Hui.Applied mathematics and computation. 2010, Vol 216, Num 5, pp 1363-1374, issn 0096-3003, 12 p.Article