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Formation of hydrogen bonding network of methane sulfonic acid at low degree of hydration (MSA)<sub>m</sub>·(H<sub>2</sub>O)<sub>n</sub> (m = 1–2 and n = 1–5).
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- Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-024-61364-0
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Full potential theoretical investigations for electronic, optical, mechanical, elastic and anisotropic properties of X<sub>2</sub>Se<sub>2</sub>C (X = Ta, Nb) compounds.
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- European Physical Journal B: Condensed Matter, 2023, v. 96, n. 5, p. 1, doi. 10.1140/epjb/s10051-023-00526-x
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Investigating the Magnetic, Mechanical, Electronic, Optical, and Anisotropic Properties of ZrCoFeX (X = Si, Ge) Quaternary Heusler Alloys via First Principles.
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- Journal of Superconductivity & Novel Magnetism, 2022, v. 35, n. 5, p. 1173, doi. 10.1007/s10948-022-06155-2
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The study of structural, electronic and thermoelectric properties of Ca1−xYbxZn2Sb2 (x = 0, 0.25, 0.5, 0.75, 1) Zintl compounds.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2021, v. 35, n. 7, p. N.PAG, doi. 10.1142/S0217979221501009
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Ab Initio Full-Potential Study of the Structural, Electronic, and Magnetic Properties of the Cubic Sr<sub>0.75</sub>Ti<sub>0.25</sub>X (X = S, Se, and Te) Ternary Alloys.
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- Journal of Superconductivity & Novel Magnetism, 2020, v. 33, n. 10, p. 3263, doi. 10.1007/s10948-020-05527-w
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Electronic and Magnetic Structure and Elastic and Thermal Properties of Mn<sub>2</sub>-Based Full Heusler Alloys.
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- Journal of Superconductivity & Novel Magnetism, 2019, v. 32, n. 12, p. 3915, doi. 10.1007/s10948-019-5095-3
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Structural, elastic, electronic and thermoelectric properties of XPN<sub>2</sub> (X = Li, Na): First-principles study.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2019, v. 33, n. 21, p. N.PAG, doi. 10.1142/S0217979219502345
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Ab initio study of the fundamental properties of Zn1-xTMxSe (TM=Mn, Co and Fe).
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- Pramana: Journal of Physics, 2019, v. 93, n. 2, p. N.PAG, doi. 10.1007/s12043-019-1775-6
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Effect of Structure on the Electronic, Magnetic and Thermal Properties of Cubic Fe<sub>2</sub>Mn<sub>x</sub>Ni<sub>1−x</sub>Si Heusler Alloys.
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- Journal of Electronic Materials, 2019, v. 48, n. 1, p. 337, doi. 10.1007/s11664-018-6704-9
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Theoretical Investigation of Structural, Electronic, Magnetic, and Mechanical Properties of Quaternary Heusler Alloys CoVTiX (X = As, Si).
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- Journal of Superconductivity & Novel Magnetism, 2018, v. 31, n. 11, p. 3625, doi. 10.1007/s10948-018-4614-y
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Investigation of the structural, electronic, elastic and thermodynamic properties of Curium Monopnictides: An ab initio study.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2017, v. 31, n. 30, p. -1, doi. 10.1142/S0217979217502265
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Electronic structure, optical and thermodynamic properties of ternary hydrides MBeH<sub>3</sub> ( M = Li, Na, and K).
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- Canadian Journal of Physics, 2016, v. 94, n. 9, p. 865, doi. 10.1139/cjp-2016-0299
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Electronic and phonon properties of the full-Heusler alloys XYAl (X = Co, Fe and Y = Cr, Sc): a density functional theory study.
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- Journal of Materials Science, 2014, v. 49, n. 12, p. 4180, doi. 10.1007/s10853-014-8113-7
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Structural and electronic properties of GaNAs alloys.
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- Applied Physics A: Materials Science & Processing, 2012, v. 106, n. 3, p. 687, doi. 10.1007/s00339-011-6666-8
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The effect of chalcogen atom on the structural, elastic, and high-pressure properties of XY compounds (X = La, Ce, Eu, and Y = S, Se, and Te): An ab initio study.
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- Physica Status Solidi (B), 2012, v. 249, n. 1, p. 18, doi. 10.1002/pssb.201147216
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First-principles study of the optical properties of PbFX (X = Cl, Br, I) compounds in its matlockite-type structure.
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- European Physical Journal B: Condensed Matter, 2007, v. 60, n. 4, p. 463, doi. 10.1140/epjb/e2008-00007-3
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Ab-initio investigation of structural, electronic and optical properties for three phases of ZnO compound.
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- Physica Status Solidi (B), 2007, v. 244, n. 9, p. 3154, doi. 10.1002/pssb.200642471
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FP-LAPW investigations of Zn<sub>1- x </sub>Be<sub> x </sub>S, Zn<sub>1- x </sub>Be<sub> x </sub>Se and Zn<sub>1- x </sub>Be<sub> x </sub>Te ternary alloys.
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- Physica Status Solidi (B), 2006, v. 243, n. 6, p. 1296, doi. 10.1002/pssb.200541481
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ENERGY BAND-GAPS OF Mg[sub x]Zn[sub 1-x]Se:: VIOLATION OF VEGARD'S LAW.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2004, v. 18, n. 1, p. 137, doi. 10.1142/S0217979204023696
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Electronic Properties of the Alloy System Ga<sub>x</sub>In<sub>1-x</sub>P<sub>y</sub>Sb<sub>z</sub>As<sub>1-y-z</sub> Lattice Matched to InAs.
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- Physica Status Solidi (B), 2002, v. 231, n. 2, p. 403, doi. 10.1002/1521-3951(200206)231:2<403::AID-PSSB403>3.0.CO;2-6
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Electronic Properties of Al<sub>x</sub>Ga<sub>1-x</sub>As<sub>y</sub>Sb<sub>1-y</sub> Alloys Lattice-Matched to InAs.
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- Physica Status Solidi (B), 2001, v. 226, n. 2, p. 293, doi. 10.1002/1521-3951(200108)226:2<293::AID-PSSB293>3.0.CO;2-C
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