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Results 1 to 25 of 1044

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BacSr1-cTiO3 perovskite solid solutions : Thermodynamics from ab initio electronic structure calculationsPISKUNOV, S; DORFMAN, S; FUKS, D et al.Microelectronic engineering. 2005, Vol 81, Num 2-4, pp 478-484, issn 0167-9317, 7 p.Article

Charge order in Fe2OBO3 : An LSDA+U studyLEONOV, I; YARESKO, A. N; ANTONOV, V. N et al.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 1, pp 014407.1-014407.7, issn 1098-0121Article

Theoretical investigation of the electronic structure and structural phase stability of CeGa2 under pressureRAJAGOPALAN, M; CHANDRA SHEKAR, N. V; SAHU, P. Ch et al.Physica. B, Condensed matter. 2005, Vol 355, Num 1-4, pp 59-63, issn 0921-4526, 5 p.Article

Synthesis, crystal chemistry and physical properties of the Ruddlesden-Popper phases Sr3Fe2-xNixO7-δ (0≤x≤1.0)MOGNI, Liliana; PRADO, Fernando; ASCOLANI, Hugo et al.Journal of solid state chemistry (Print). 2005, Vol 178, Num 5, pp 1559-1568, issn 0022-4596, 10 p.Article

Orbital ordering, Jahn-Teller distortion, and resonant x-ray scattering in KCuF3BINGGELI, N; ALTARELLI, M.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 8, pp 085117.1-085117.10, issn 1098-0121Article

Probing Mo core valence on Sr2FeMoO6 half-metallic ferromagnets and their electron-doped derivative compounds by photoelectron spectroscopyNAVARRO, J; FONTCUBERTA, J; IZQUIERDO, M et al.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 5, pp 054423.1-054423.5, issn 1098-0121Article

Electronic properties of Co and Ni silicides: a theoretical approach using extended Huckel methodGALVAN, D. H; POSADA AMARILLAS, A; SAMANIEGO REYNA, J. C et al.Physica status solidi. B. Basic research. 2004, Vol 241, Num 13, pp 2905-2913, issn 0370-1972, 9 p.Article

First-principles study of the electronic structure of PbF2in the cubic, orthorhombic, and hexagonal phasesHUITIAN JIANG; ORLANDO, Roberto; BLANCO, Miguel A et al.Journal of physics. Condensed matter (Print). 2004, Vol 16, Num 18, pp 3081-3088, issn 0953-8984, 8 p.Article

Insulators at the ultrathin limit: electronic structure studied by scanning tunnelling microscopy and scanning tunnelling spectroscopySCHINTKE, Silvia; SCHNEIDER, Wolf-Dieter.Journal of physics. Condensed matter (Print). 2004, Vol 16, Num 4, pp R49-R81, issn 0953-8984Article

Potential gallium oxynitrides with a derived spinel structureLOWTHER, J. E; WAGNER, T; KINSKI, Isabel et al.Journal of alloys and compounds. 2004, Vol 376, pp 1-4, issn 0925-8388, 4 p.Article

Structural properties of boron compounds at high pressureEL HAJ HASSAN, F; AKBARZADEH, H; ZOAETER, M et al.Journal of physics. Condensed matter (Print). 2004, Vol 16, Num 3, pp 293-301, issn 0953-8984, 9 p.Article

The unusual magnetic and electronic properties of Gd0.5Ba0.5CoO2.9KUNDU, Asish K; SAMPATHKUMARAN, E. V; RAO, C. N. R et al.The Journal of physics and chemistry of solids. 2004, Vol 65, Num 1, pp 95-100, issn 0022-3697, 6 p.Article

Unusual electronic and bonding properties of the Zintl phase Ca5Ge3 and related compounds. A Theoretical analysisMUDRING, Anja-Verena; CORBETT, John D.Journal of the American Chemical Society. 2004, Vol 126, Num 16, pp 5277-5281, issn 0002-7863, 5 p.Article

A late-transition metal oxo complex: K7Nag[O=PtIV(H2O)L2, L = [PW9O34]9-ANDERSON, Travis M; NEIWERT, Wade A; KIRK, Martin L et al.Science (Washington, D.C.). 2004, Vol 306, Num 5704, pp 2074-2077, issn 0036-8075, 4 p.Article

Electronic structures of rocksalt, litharge, and herzenbergite SnO by density functional theoryWALSH, Aron; WATSON, Graeme W.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 23, pp 235114.1-235114.7, issn 1098-0121Article

First-principles study of the preference for zinc-blende or rocksalt structures in FeN and CoNLUKASHEV, Pavel; LAMBRECHT, Walter R. L.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 24, pp 245205.1-245205.8, issn 1098-0121Article

High-energy angle-resolved photoemission spectroscopy probing bulk correlated electronic states in quasi-one-dimensional V6O13 and SrCuO2SUGA, S; SHIGEMOTO, A; NASU, K et al.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 15, pp 155106.1-155106.7, issn 1098-0121Article

Stability and electronic properties of Sn3P4HUANG, M; FENG, Y. P.Physical review B. Condensed matter and materials physics. 2004, Vol 70, Num 18, pp 184116.1-184116.5, issn 1098-0121, 2Article

Interpretation of the Hume-Rothery rule in complex electron compounds: γ-phase Cu5Zn8 Alloy, FK-type Al30Mg40Zn30 and MI-type Al68Cu7Ru17Si8 1/1-1/1-1/1 approximantsMIZUTANI, U; TAKEUCHI, T; SATO, H et al.Progress in materials science. 2004, Vol 49, Num 3-4, pp 227-261, issn 0079-6425, 35 p.Article

Octahedral distortions in the homometallic Fe ludwigiteMATOS, Maria.Journal of solid state chemistry (Print). 2004, Vol 177, Num 12, pp 4605-4615, issn 0022-4596, 11 p.Article

Synthesis, optical properties and electronic structures of polyoxometalates K3P(Mo1-xWx)12O40 (0≤x≤1)GOUBIN, F; GUENEE, L; DENIARD, P et al.Journal of solid state chemistry (Print). 2004, Vol 177, Num 12, pp 4528-4534, issn 0022-4596, 7 p.Article

Photoelectron spectroscopy and soft X-ray absorption spectroscopy of pyrochlore molybdenum oxides R2MO2O7 (R = Sm, Tb)SAWADA, M; NAGIRA, M; YAJI, K et al.Physica. B, Condensed matter. 2004, Vol 351, Num 3-4, pp 307-309, issn 0921-4526, 3 p.Conference Paper

A combined computational/experimental study on LiNi1/3Co1/3Mn1/3O2HWANG, B. J; TSAI, Y. W; CARLIER, D et al.Chemistry of materials. 2003, Vol 15, Num 19, pp 3676-3682, issn 0897-4756, 7 p.Article

Ab initio calculations of the electron structure of the compounds AgGaS2, CdGa2S4, InPS4LAVRENTYEV, A. A; GABRELIAN, B. V; NIKIFOROV, I. Ya et al.The Journal of physics and chemistry of solids. 2003, Vol 64, Num 8, pp 1251-1255, issn 0022-3697, 5 p.Article

Acid-base behavior of oxides and their electronic structurePORTIER, J; POIZOT, P; TARASCON, J.-M et al.Solid state sciences. 2003, Vol 5, Num 5, pp 695-699, issn 1293-2558, 5 p.Article

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