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Material Type: Artigo
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Approximate quasiparticle correction for calculations of the energy gap in two-dimensional materialsIvan Guilhon Daniel S Koda; Luiz Guimarães Ferreira; Marcelo Marques; Lara Kuhl TelesPhysical Review B Woodbury v. 97, n. 4, 045426/1-045426/11, 2018Woodbury 2018Item não circula. Consulte sua biblioteca.(Acessar) |
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Material Type: Artigo
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Pseudopotentials periodic table: From H to PuDal Corso, AndreaComputational materials science, 2014-12, Vol.95, p.337-350 [Periódico revisado por pares]Amsterdam: Elsevier B.VTexto completo disponível |
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Material Type: Artigo
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Interlayer Breathing and Shear Modes in Few-Trilayer MoS2 and WSe2Zhao, Yanyuan ; Luo, Xin ; Li, Hai ; Zhang, Jun ; Araujo, Paulo T ; Gan, Chee Kwan ; Wu, Jumiati ; Zhang, Hua ; Quek, Su Ying ; Dresselhaus, Mildred S ; Xiong, QihuaNano letters, 2013-03, Vol.13 (3), p.1007-1015 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Role of Metal Contacts in Designing High-Performance Monolayer n‑Type WSe2 Field Effect TransistorsLiu, Wei ; Kang, Jiahao ; Sarkar, Deblina ; Khatami, Yasin ; Jena, Debdeep ; Banerjee, KaustavNano letters, 2013-05, Vol.13 (5), p.1983-1990 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Chemical accuracy for the van der Waals density functionalKlimeš, Jiří ; Bowler, David R ; Michaelides, AngelosJournal of physics. Condensed matter, 2010-01, Vol.22 (2), p.022201-022201 (5) [Periódico revisado por pares]Bristol: IOP PublishingTexto completo disponível |
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Material Type: Artigo
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The Unusual Mechanism of Partial Fermi Level Pinning at Metal–MoS2 InterfacesGong, Cheng ; Colombo, Luigi ; Wallace, Robert M ; Cho, KyeongjaeNano letters, 2014, Vol.14 (4), p.1714-1720 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Ab initio random structure searchingPickard, Chris J ; Needs, R JJournal of physics. Condensed matter, 2011-02, Vol.23 (5), p.053201-23 [Periódico revisado por pares]Bristol: IOP PublishingTexto completo disponível |
8 |
Material Type: Artigo
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Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave methodEnkovaara, J ; Rostgaard, C ; Mortensen, J J ; Chen, J ; Dułak, M ; Ferrighi, L ; Gavnholt, J ; Glinsvad, C ; Haikola, V ; Hansen, H A ; Kristoffersen, H H ; Kuisma, M ; Larsen, A H ; Lehtovaara, L ; Ljungberg, M ; Lopez-Acevedo, O ; Moses, P G ; Ojanen, J ; Olsen, T ; Petzold, V ; Romero, N A ; Stausholm-Møller, J ; Strange, M ; Tritsaris, G A ; Vanin, M ; Walter, M ; Hammer, B ; Häkkinen, H ; Madsen, G K H ; Nieminen, R M ; Nørskov, J K ; Puska, M ; Rantala, T T ; Schiøtz, J ; Thygesen, K S ; Jacobsen, K WJournal of physics. Condensed matter, 2010-06, Vol.22 (25), p.253202-253202 [Periódico revisado por pares]Bristol: IOP PublishingTexto completo disponível |
9 |
Material Type: Artigo
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Towards an exact description of electronic wavefunctions in real solidsBOOTH, George H ; GRÜNEIS, Andreas ; KRESSE, Georg ; ALAVI, AliNature (London), 2013-01, Vol.493 (7432), p.365-370 [Periódico revisado por pares]London: Nature Publishing GroupTexto completo disponível |
10 |
Material Type: Artigo
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Enhanced Thermoelectric Efficiency via Orthogonal Electrical and Thermal Conductances in PhosphoreneFei, Ruixiang ; Faghaninia, Alireza ; Soklaski, Ryan ; Yan, Jia-An ; Lo, Cynthia ; Yang, LiNano letters, 2014-11, Vol.14 (11), p.6393-6399 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |