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Hartree-Fock ground-state properties for the group 1 alkali metals and the group 11 noble metalsPAULUS, Beate; ROSCISZEWSKI, Krzysztof.Journal of physics. Condensed matter (Print). 2007, Vol 19, Num 34, issn 0953-8984, 346217.1-346217.13Article

Hydrostatic pressure coefficients of the valence band maximum in Ge, InSb, InAs, and GaAsDAUNOV, M. I; KAMILOV, I. K; GABIBOV, S. F et al.Physica status solidi. B. Basic research. 2003, Vol 235, Num 2, pp 297-301, issn 0370-1972, 5 p.Conference Paper

Effect on overlap on semiempirical potentials derived from tight bindingsCANEL, L. M; CARLSSON, A. E; FEDDERS, P. A et al.Physical review. B, Condensed matter. 1993, Vol 48, Num 15, pp 10739-10750, issn 0163-1829Article

First-principles investigation of Mg2Ni phase and high/low temperature Mg2NiH4 complex hydridesZHANG, J; ZHOU, D. W; HE, L. P et al.The Journal of physics and chemistry of solids. 2009, Vol 70, Num 1, pp 32-39, issn 0022-3697, 8 p.Article

Probing the local electronic structure in the H induced metal-insulator transition of YHJÖRVARSSON, B; GUO, J.-H; NORDGREN, J et al.Journal of physics. Condensed matter (Print). 1999, Vol 11, Num 14, pp L119-L125, issn 0953-8984Article

Rapidly convergent bond order expansion for atomistic simulationsAOKI, M.Physical review letters. 1993, Vol 71, Num 23, pp 3842-3845, issn 0031-9007Article

The electronic and structural properties of δ-Pu and PuO from the LSDA (GGA) + U methodLIU, T; CAI, T; GAO, T et al.Physica. B, Condensed matter. 2010, Vol 405, Num 17, pp 3717-3721, issn 0921-4526, 5 p.Article

Electronic structure of crystalline binary and ternary Cd-Te-O compoundsMENENDEZ-PROUPIN, E; GUTIERREZ, G; PALMERO, E et al.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 3, pp 035112.1-035112.13, issn 1098-0121Article

Photoemission study of layered transition-metal oxides and oxide-based diluted magnetic semiconductorsMIZOKAWA, Takashi.The Journal of physics and chemistry of solids. 2004, Vol 65, Num 8-9, pp 1409-1415, issn 0022-3697, 7 p.Conference Paper

Electronic structure characterization of six semiconductors through their localized Wannier functionsBERT, Alberto; LLUNELL, Miquel; DOVESI, Roberto et al.PCCP. Physical chemistry chemical physics (Print). 2003, Vol 5, Num 23, pp 5319-5325, issn 1463-9076, 7 p.Article

Pressure response to electronic structures of bulk semiconductors at room temperatureELABSY, A. M; DEGHEIDY, A. R; ABDELWAHED, H. G et al.Physica. B, Condensed matter. 2010, Vol 405, Num 17, pp 3709-3713, issn 0921-4526, 5 p.Article

Band parameters of AlAs, Ge and Si in the 34-band k. p modelFRAJ, N; SAÏDI, I; BEN RADHIA, S et al.Semiconductor science and technology. 2008, Vol 23, Num 8, issn 0268-1242, 085006.1-085006.6Article

Energy-band structure of Ge, Si, and GaAs : A thirty-band k.p methodRICHARD, Soline; ANIEL, Frédéric; FISHMAN, Guy et al.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 23, pp 235204.1-235204.6, issn 1098-0121Article

Thermodynamics of impurities in semiconductorsESTREICHER, S. K; SANATI, M; WEST, D et al.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 12, pp 125209.1-125209.10, issn 1098-0121Article

Covalent bonding and bandgap formation in transition-metal aluminides: di-aluminides of group VIII transition metalsKRAJCI, M; HAFNER, J.Journal of physics. Condensed matter (Print). 2002, Vol 14, Num 23, pp 5755-5783, issn 0953-8984Article

Electronic structure of host lattices for intercalation compounds : SnS2, SnSe2, ZrS2, and TaS2IBARZ, A; RUIZ, E; ALVAREZ, S et al.Chemistry of materials. 1998, Vol 10, Num 11, pp 3422-3428, issn 0897-4756Article

The electron pseudocharge densities in ZnxHg(1-x)TeAOURAG, H; HAMMADI, M; MAHMOUDI, M et al.Materials chemistry and physics. 1992, Vol 31, Num 4, pp 359-364, issn 0254-0584Article

LDA + U study of Pu and PuO2 on ground state with spin―orbital couplingHAO WANG; KONASHI, Kenji.Journal of alloys and compounds. 2012, Vol 533, pp 53-57, issn 0925-8388, 5 p.Article

Magnetic state and electronic structure of the δ and α phases of metallic Pu and its compoundsSHORIKOV, A. O; LUKOYANOV, A. V; KOROTIN, M. A et al.Physical review B. Condensed matter and materials physics. 2006, Vol 72, Num 2, pp 024458.1-024458.18, issn 1098-0121Article

Densité de charge : utilisation des détecteurs de type CCD - application en Science des Matériaux et pharmacologie = Charge Density : use of X-ray CCD detectors - application to Materials Science and PharmacologyDutheil, Michael; Becker, Pierre.2001, 170 p.Thesis

Electronic structure and bonding in the Cmca phases of Si and CsSCHWARZ, U; JEPSEN, O; SYASSEN, K et al.Solid state communications. 2000, Vol 113, Num 11, pp 643-648, issn 0038-1098Article

A procedure for calculation of the density of states of wide-gap semiconductors and dielectrics by means of the recursion methodORTEGA, F; CASELLI, E; LESTER, M et al.Physica status solidi. B. Basic research. 1997, Vol 201, Num 2, pp 437-442, issn 0370-1972Article

Carbon allotropes : a suggested classification scheme based on valence orbital hybridizationHEIMANN, R. B; EVSYUKOV, S. E; KOGA, Y et al.Carbon (New York, NY). 1997, Vol 35, Num 10-11, pp 1654-1658, issn 0008-6223Article

Tight-binding theory of the electronic structures for rhombohedral semimetalsXU, J. H; WANG, E. G; TING, C. S et al.Physical review. B, Condensed matter. 1993, Vol 48, Num 23, pp 17271-17279, issn 0163-1829Article

Non-nuclear maxima (NNM), symmetric and asymmetric charge distribution in solar grade Si and n-GaAs, using X-ray powder dataSARAVANAN, R; ANN, A. Majella Mary; JAINULABDEEN, S et al.Physica. B, Condensed matter. 2007, Vol 400, Num 1-2, pp 16-21, issn 0921-4526, 6 p.Article

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