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Structural, electronic, optical and elastic properties of layered rhombohedral compounds ALaSe<sub>2</sub>(A=K, Rb): Insights from an ab initio study.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2019, v. 33, n. 10, p. N.PAG, doi. 10.1142/S021797921950084X
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Ab initio study of the mechanical and electronic properties of scheelite-type XWO<sub>4</sub>(X = Ca, Sr, Ba) compounds.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2017, v. 31, n. 12, p. -1, doi. 10.1142/S0217979217500862
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Half-metallicity and optoelectronic properties of V-doped zincblende ZnS and CdS alloys.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2016, v. 30, n. 8, p. -1, doi. 10.1142/S021797921650034X
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ELASTIC, ELECTRONIC AND THERMODYNAMIC PROPERTIES OF Rh<sub>3</sub>X (X, = Zr, Nb and Ta) INTERMETALLIC COMPOUNDS.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2014, v. 28, n. 3, p. 1450006-1, doi. 10.1142/S0217979214500064
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ELECTRONIC BAND STRUCTURE, OPTICAL, THERMAL AND BONDING PROPERTIES OF XMg<sub>2</sub>0<sub>4</sub> (X = Si, Ge) SPINEL COMPOUNDS.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2013, v. 27, n. 18, p. 1, doi. 10.1142/S0217979213500823
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Study of the substrate surface treatment of flexible polypyrrole-silver composite films on EMI shielding effectiveness: theoretical and experimental investigation.
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- Frequenz, 2022, v. 76, n. 9/10, p. 479, doi. 10.1515/freq-2021-0219
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Elastic, Optoelectronic and Thermoelectric Properties of the Lead-Free Halide Semiconductors CsAgBi X ( X = Cl, Br): Ab Initio Investigation.
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- Journal of Electronic Materials, 2018, v. 47, n. 2, p. 1533, doi. 10.1007/s11664-017-5962-2
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Lattice Dynamical Properties and Elastic Constants of the Ternary Chalcopyrite Compounds CuAlS, CuGaS, CuInS, and AgGaS.
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- Journal of Electronic Materials, 2017, v. 46, n. 7, p. 4109, doi. 10.1007/s11664-017-5290-6
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Structural, Elastic, Electronic and Optical Properties of LaOAgS-Type Silver Fluoride Chalcogenides: First-Principles Study.
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- Journal of Electronic Materials, 2017, v. 46, n. 7, p. 4539, doi. 10.1007/s11664-017-5452-6
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Structural Stabilities and Elastic Thermodynamic Properties of SrTe Compound and SrTeCa Alloy Under High Pressure.
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- Journal of Electronic Materials, 2017, v. 46, n. 2, p. 766, doi. 10.1007/s11664-016-4830-9
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Elastic, electronic and thermodynamic properties of fluoro-perovskite KZnF via first-principles calculations.
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- Applied Physics A: Materials Science & Processing, 2012, v. 106, n. 3, p. 645, doi. 10.1007/s00339-011-6643-2
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Calculated structural, electronic and elastic properties of M<sub>2</sub>GeC (M=Ti, V, Cr, Zr, Nb, Mo, Hf, Ta and W).
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- Applied Physics A: Materials Science & Processing, 2009, v. 96, n. 4, p. 959, doi. 10.1007/s00339-009-5106-5
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Electronic properties of orthorhombic LiGaS and LiGaSe.
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- Applied Physics A: Materials Science & Processing, 2009, v. 94, n. 2, p. 315, doi. 10.1007/s00339-008-4794-6
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Prediction of phase transition, mechanical and electronic properties of inverse Heusler compound Y<sub>2</sub>RuPb, via FP-LMTO method.
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- International Journal of Modern Physics C: Computational Physics & Physical Computation, 2016, v. 27, n. 9, p. -1, doi. 10.1142/S0129183116501072
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Prediction study of magnetic stability, structural and electronic properties of Heusler compounds Mn2PtZ (Z = V, Co): DFT+U+TB-mBJ calculation.
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- Pramana: Journal of Physics, 2022, v. 96, n. 1, p. 1, doi. 10.1007/s12043-021-02252-4
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Structural, electronic, magnetic and mechanical properties of the full-Heusler compounds Ni<sub>2</sub>Mn(Ge,Sn) and Mn<sub>2</sub>NiGe.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2021, v. 76, n. 8, p. 693, doi. 10.1515/zna-2020-0329
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Spin-Polarized Study of the Structural, Optoelectronic, and Thermoelectric Properties of the Melilite-Type Gd 2 Be 2 GeO 7 Compound.
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- Crystals (2073-4352), 2022, v. 12, n. 10, p. 1397, doi. 10.3390/cryst12101397
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Half-metallicity from CrCoSi and MnCoSi half-Heusler alloys to their derivative double half-Heusler CrMnCo<sub>2</sub>Si<sub>2</sub>.
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- Canadian Journal of Physics, 2023, v. 101, n. 7, p. 339, doi. 10.1139/cjp-2022-0251
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First-principles calculations for optical investigations of Pb X ( X = S, Te) compounds under quantum dots diameter effect.
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- Canadian Journal of Physics, 2015, v. 93, n. 12, p. 1490, doi. 10.1139/cjp-2015-0145
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Ab initio study of the structural and optoelectronic properties of the half-Heusler CoCr Z ( Z = Al, Ga).
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- Canadian Journal of Physics, 2014, v. 92, n. 10, p. 1105, doi. 10.1139/cjp-2013-0474
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DFT Insights into the Physical Properties of Layered LiMnSe 2 and LiMnTe 2 Compounds.
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- Metals (2075-4701), 2024, v. 14, n. 9, p. 1036, doi. 10.3390/met14091036
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Electronic band structure, mechanical and optical characteristics of new lead-free halide perovskites for solar cell applications based on DFT computation.
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- Bulletin of Materials Science, 2023, v. 46, n. 2, p. 1, doi. 10.1007/s12034-023-02890-x
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First-Principles Study of the Structural, Electronic, Magnetic and Thermal Properties of the Cr Doped Ge<sub>6</sub>Mn<sub>2</sub>Te<sub>8</sub> and Ge<sub>6</sub>Fe<sub>2</sub>Te<sub>8</sub> Systems.
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- Acta Physica Polonica: A, 2017, v. 132, n. 4, p. 1242, doi. 10.12693/APhysPolA.132.1242
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First‐Principles Calculations to Investigate the Refractive Index and Optical Dielectric Constant of Na<sub>3</sub>SbX<sub>4</sub> (X = S, Se) Ternary Chalcogenides.
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- Physica Status Solidi (B), 2019, v. 256, n. 11, p. N.PAG, doi. 10.1002/pssb.201900131
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Structural, electronic, linear, and nonlinear optical properties of ZnCdTe.
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- Physica Status Solidi (B), 2011, v. 248, n. 3, p. 712, doi. 10.1002/pssb.200945463
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Electronic structure calculations of europium chalcogenides EuS and EuSe.
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- Physica Status Solidi (B), 2007, v. 244, n. 6, p. 1988, doi. 10.1002/pssb.200642450
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Metal to semiconductor transition and figure of merit enhancement of Li<sub>2</sub>CuAs compound by Na substitution.
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- Bulletin of Materials Science, 2022, v. 45, n. 3, p. 1, doi. 10.1007/s12034-022-02695-4
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Temperature effect to investigate optical and structural properties of AZO nanostructures for optoelectronics.
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- Bulletin of Materials Science, 2021, v. 44, n. 1, p. 1, doi. 10.1007/s12034-020-02298-x
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A study on the vibrational frequencies, elastic properties and sound velocities of vanadium spinel oxides AV<sub>2</sub>O<sub>4</sub> (A = Mn, Fe and Zn) short-range non-Coulomb potential theoretical model.
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- Bulletin of Materials Science, 2020, v. 43, n. 1, p. 1, doi. 10.1007/s12034-020-02240-1
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Structural, elastic, optoelectronic and magnetic properties of $$\mathbf{CdHo }_\mathbf{2}{} \mathbf{S}_\mathbf{4}$$ spinel: a first-principle study.
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- Bulletin of Materials Science, 2017, v. 40, n. 6, p. 1105, doi. 10.1007/s12034-017-1482-1
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A needle-like CuCdSnS alloy nanostructure-based integrated electrochemical biosensor for detecting the DNA of Dengue serotype 2.
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- Microchimica Acta, 2017, v. 184, n. 7, p. 2211, doi. 10.1007/s00604-017-2249-5
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Ab Initio Prediction of the Structural, Elastic and Thermodynamic Properties Under Hydrostatic Pressure of the Ternary Tetragonal Phosphides XRh<sub>2</sub>P<sub>2</sub> (X = Ca, Ba) for Superconducting Application.
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- Journal of Superconductivity & Novel Magnetism, 2024, v. 37, n. 5-7, p. 829, doi. 10.1007/s10948-024-06754-1
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First-Principles Investigation of the Structural, Elastic and Thermodynamic Properties of CaRu<sub>2</sub>X<sub>2</sub> (X = P, As) under Pressure.
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- Journal of Superconductivity & Novel Magnetism, 2022, v. 35, n. 9, p. 2531, doi. 10.1007/s10948-022-06304-7
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Insight into the Structural, Magneto-electronic, and Mechanical Characteristic of Y<sub>2</sub>MnZ (Z = Al, Ga, In) via DFT Computation.
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- Journal of Superconductivity & Novel Magnetism, 2022, v. 35, n. 1, p. 141, doi. 10.1007/s10948-021-06025-3
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Structural, elastic, electronic, magnetic, optical, and thermoelectric properties of the diamond-like quaternary semiconductor CuMn2InSe4.
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- Journal of Superconductivity & Novel Magnetism, 2020, v. 33, n. 4, p. 1091, doi. 10.1007/s10948-019-05331-1
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Half-Metallic Ferrimagnetic Characteristics of CoYZ (Z = P, As, Sb, and Bi) New Full-Heusler Alloys: a DFT Study.
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- Journal of Superconductivity & Novel Magnetism, 2018, v. 31, n. 1, p. 241, doi. 10.1007/s10948-017-4206-2
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Doping-Induced Half-Metallic Ferromagnetism in Vanadium and Chromium-Doped Alkali Oxides KO and RbO: Ab Initio Method.
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- Journal of Superconductivity & Novel Magnetism, 2017, v. 30, n. 8, p. 2197, doi. 10.1007/s10948-017-4021-9
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First-principles calculations of structural, elastic, electronic, magnetic, optical, thermoelectric, and dynamic properties of CoCrTe half-Heusler compound.
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- Optical & Quantum Electronics, 2024, v. 56, n. 6, p. 1, doi. 10.1007/s11082-024-07002-5
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Structural, magnetic, and optoelectronic properties of new ferromagnetic semiconductors Cd<sub>0.75</sub>Os<sub>0.25</sub>S and Cd<sub>0.75</sub>Ir<sub>0.25</sub>S: Insight from DFT computations.
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- Optical & Quantum Electronics, 2022, v. 54, n. 11, p. 1, doi. 10.1007/s11082-022-04073-0
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Investigating of structural, electronic, magnetic, dynamic, and thermoelectric properties of CoCrSe half-Heusler compound using FP-LAPW method.
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- European Physical Journal B: Condensed Matter, 2024, v. 97, n. 5, p. 1, doi. 10.1140/epjb/s10051-024-00700-9
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Theoretical investigations of Zr-concentration influence on the thermodynamic, elastic, electronic, and structural stability of D0<sub>22</sub>/L1<sub>2</sub>-Al<sub>3</sub>Ti.
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- European Physical Journal B: Condensed Matter, 2024, v. 97, n. 1, p. 1, doi. 10.1140/epjb/s10051-023-00643-7
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Density functional theory screening of some fundamental physical properties of Cs<sub>2</sub>InSbCl<sub>6</sub> and Cs<sub>2</sub>InBiCl<sub>6</sub> double perovskites.
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- European Physical Journal B: Condensed Matter, 2022, v. 95, n. 7, p. 1, doi. 10.1140/epjb/s10051-022-00381-2
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Structural, elastic, electronic and optical properties of the newly synthesized selenides Tl<sub>2</sub>CdXSe<sub>4</sub> (X = Ge, Sn).
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- European Physical Journal B: Condensed Matter, 2022, v. 95, n. 3, p. 1, doi. 10.1140/epjb/s10051-022-00288-y
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Ab initio prediction of the structural, electronic, elastic and thermodynamic properties of the tetragonal ternary intermetallics XCuSi (X = Ca, Sr).
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- European Physical Journal B: Condensed Matter, 2014, v. 87, n. 12, p. 1, doi. 10.1140/epjb/e2014-50526-1
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Structural, elastic, electronic, optical and thermal properties of c-SiGe<sub>2</sub>N<sub>4</sub>.
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- European Physical Journal B: Condensed Matter, 2009, v. 71, n. 2, p. 185, doi. 10.1140/epjb/e2009-00272-6
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Electronic and optical properties under pressure effect of alkali metal oxides.
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- European Physical Journal B: Condensed Matter, 2008, v. 64, n. 1, p. 35, doi. 10.1140/epjb/e2008-00286-6
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Structural, electronic and optical properties of SrCl<sub>2</sub> under hydrostatic stress.
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- European Physical Journal B: Condensed Matter, 2008, v. 61, n. 2, p. 165, doi. 10.1140/epjb/e2008-00064-6
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Structural and elastic properties of Zr<sub>2</sub>AlX and Ti<sub>2</sub>AlX (X = C and N) under pressure effect.
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- European Physical Journal B: Condensed Matter, 2007, v. 56, n. 3, p. 209, doi. 10.1140/epjb/e2007-00115-6
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Ab initio study of the structural and elastic properties of spinels MgX<sub>2</sub>O<sub>4</sub>(X = Al, Ga, In) under pressure.
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- European Physical Journal B: Condensed Matter, 2007, v. 56, n. 1, p. 1, doi. 10.1140/epjb/e2007-00003-1
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CALCULATED STRUCTURAL AND ELASTIC PROPERTIES OF M<sub>2</sub>InC(M=Sc, Ti, V, Zr, Nb, Hf, Ta).
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- Modern Physics Letters B, 2008, v. 22, n. 22, p. 2063, doi. 10.1142/S0217984908016807
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