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First-principles study of structural and electronic properties of C14-type Laves phase Al2Zr and Al2HfHU, Wen-Cheng; YONG LIU; LI, De-Jiang et al.Computational materials science. 2014, Vol 83, pp 27-34, issn 0927-0256, 8 p.Article
First-principles study of structural, elastic, electronic, magnetic and thermoproperties of Ni2ZrX (X = Sn, Sb) Heusler alloys under pressureYUAN, Xiao-Li; XUE, Mi-An; WEN CHEN et al.Computational materials science. 2014, Vol 82, pp 76-85, issn 0927-0256, 10 p.Article
The effects of 5f localization on the electronic and magnetic properties of the hexagonal U3ZrSb5MERABIHA, O; SEDDIK, T; KHENATA, R et al.Journal of alloys and compounds. 2014, Vol 586, pp 529-535, issn 0925-8388, 7 p.Article
Ti2FeZ (Z=Al, Ga, Ge) alloys: Structural, electronic, and magnetic propertiesMAO LIPING; SHI YONGFAN; HAN YU et al.Journal of magnetism and magnetic materials. 2014, Vol 369, pp 205-210, issn 0304-8853, 6 p.Article
Prediction of half-metallic ferromagnetism (HMF) in hypothetical Heusler compound Co2VSb using modified Becke Johnson (mBJ) potentialRAI, D. P; MAIBAM, J; SHARMA, B. I et al.Journal of alloys and compounds. 2014, Vol 589, pp 553-557, issn 0925-8388, 5 p.Article
First-principle calculations on the electronic structures and magnetic properties of Heusler compounds V2ReZ (Z=B, Al, Ga, In, Si, Ge, Sn, Sb)JIA, H. Y; DAI, X. F; ZHANG, X. M et al.Journal of magnetism and magnetic materials. 2013, Vol 343, pp 268-275, issn 0304-8853, 8 p.Article
Hydrogen trapping in δ-Pu: insights from electronic structure calculationsTAYLOR, Christopher D; HERNANDEZ, Sarah C; FRANCIS, Michael F et al.Journal of physics. Condensed matter (Print). 2013, Vol 25, Num 26, issn 0953-8984, 265001.1-265001.9Article
Ab initio study of the effect of Zr content on elastic and electronic properties of L12―Al3(Sc1―xZrx) alloysWANG, Ren-Nian; TANG, Bi-Yu; PENG, Li-Ming et al.Computational materials science. 2012, Vol 59, pp 87-93, issn 0927-0256, 7 p.Article
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
Band structure modifications of Ni3Al caused by the introduction of an interstitial carbon atomVANDERLEI DOS SANTOS, Antônio.Solid state communications. 2011, Vol 151, Num 2, pp 187-192, issn 0038-1098, 6 p.Article
Ab initio calculation of electronic and optical properties of metallic tinPEDERSEN, Thomas G; MODAK, Paritosh; PEDERSEN, Kjeld et al.Journal of physics. Condensed matter (Print). 2009, Vol 21, Num 11, issn 0953-8984, 115502.1-115502.5Article
Effect of the main-group elements on the electronic structures and magnetic properties of Heusler alloys Mn2NiZ (Z = In, Sn, Sb)HONGZHI LUO; GUODONG LIU; ZHONGQIU FENG et al.Journal of magnetism and magnetic materials. 2009, Vol 321, Num 24, pp 4063-4066, issn 0304-8853, 4 p.Article
Ab-initio investigation of electronic properties and magnetism of half-Heusler alloys XCrAl (X = Fe, Co, Ni) and NiCrZ (Z = Al, Ga, In)HONGZHI LUO; ZHIYONG ZHU; GUODONG LIU et al.Physica. B, Condensed matter. 2008, Vol 403, Num 1, pp 200-206, issn 0921-4526, 7 p.Article
Ab initio calculations of mechanical and thermodynamic properties for the B2-based AlREXIAOMA TAO; YIFANG OUYANG; HUASHAN LIU et al.Computational materials science. 2007, Vol 40, Num 2, pp 226-233, issn 0927-0256, 8 p.Article
Ab-initio studies on the electronic structure of YbPd2SnJEONG, T; KWON, Y.Solid state communications. 2007, Vol 143, Num 8-9, pp 429-431, issn 0038-1098, 3 p.Article
Effects of alloying element Ti on α-Nb5Si3 and Nb3Al from first principlesYUE CHEN; SHANG, Jia-Xiang; YUE ZHANG et al.Journal of physics. Condensed matter (Print). 2007, Vol 19, Num 1, issn 0953-8984, 016215.1-016215.8Article
Electronic structure and electron-phonon interaction in YAl2Si2HUANG, G. Q; MIAO, R. D.Physica. B, Condensed matter. 2007, Vol 391, Num 1, pp 174-178, issn 0921-4526, 5 p.Article
Electronic structure, magnetism and disorder in the heusler compound Co2TiSn : New materials with high spin polarization: Half-metallic Heusler compoundsKANDPAL, Hem Chandra; KSENOFONTOV, Vadim; WOJCIK, Marek et al.Journal of physics. D, Applied physics (Print). 2007, Vol 40, Num 6, pp 1587-1592, issn 0022-3727, 6 p.Article
First-principles study on the structure and elasticity of LaNi5 and LaNi4.25Al0.75CHUANYU ZHANG; TAO GAO; YUNGUANG ZHANG et al.Journal of alloys and compounds. 2007, Vol 439, Num 1-2, pp 25-32, issn 0925-8388, 8 p.Article
Ab-initio calculation of electronic structure and electric field gradients in HfAl2 and ZrAl2 Laves phasesBELOSEVIC-CAVOR, J; KOTESKI, V; CEKIC, B et al.Computational materials science. 2007, Vol 41, Num 2, pp 164-167, issn 0927-0256, 4 p.Article
Electronic Structures and Magnetic Phase Stability of Lin and B2-Type MnRh Eouiatomic AllovsUMETSU, Rie Y; FUKAMICHI, Kazuaki; SAKUMA, Akimasa et al.Journal of the Physical Society of Japan. 2007, Vol 76, Num 10, issn 0031-9015, 104712.1-104712.6Article
First Principles Calculation of Localization of 5f Electrons in Bulk Alpha-PlutoniumGONG, Hao Ran; RAY, Asok K.Journal of the Physical Society of Japan. 2007, Vol 76, Num 11, issn 0031-9015, 114701.1-114701.4Article
Magnetic state and electronic structure of plutonium from first principles calculationsANISIMOV, V. I; SHORIKOV, A. O; KUNES, J et al.Journal of alloys and compounds. 2007, Vol 444-445, pp 42-49, issn 0925-8388, 8 p.Conference Paper
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
Light impurity effects on the electronic structure in TiAlDANG, H. L; WANG, C. Y; TU, T et al.Journal of physics. Condensed matter (Print). 2006, Vol 18, Num 39, pp 8803-8815, issn 0953-8984, 13 p.Article