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Electronic and Magnetic Properties of Mn<sub>2</sub>YSn (Y = Ru, Rh, and Pd) Heusler Alloys Under Hydrostatic Pressure.
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- Journal of Electronic Materials, 2022, v. 51, n. 12, p. 7092, doi. 10.1007/s11664-022-09945-5
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- Article
Lattice-Dynamical, Elastic and Thermo-Dynamical Properties of GaAs, InAs, and their Mixed Ga<sub>1-x</sub>In<sub>x</sub>As Alloys.
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- Journal of Electronic Materials, 2022, v. 51, n. 6, p. 3033, doi. 10.1007/s11664-022-09524-8
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- Article
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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- Article
GGA and mBJ study of the optoelectronic, magnetic and thermoelectric properties of the SmAlO<sub>3</sub> compound with spin-orbit coupling.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2016, v. 30, n. 12, p. 1, doi. 10.1142/S0217979216500788
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- Article
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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- Article
Vibrational, mechanical and thermodynamical properties of indium thiospinels MIn<sub>2</sub>S<sub>4</sub> ( M = Cd, Zn and Mg).
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2016, v. 30, n. 6, p. -1, doi. 10.1142/S0217979216500181
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- Article
Mechanical, electronic and thermodynamic properties of full Heusler compounds Fe<sub>2</sub>VX( X = Al, Ga).
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2015, v. 29, n. 31, p. -1, doi. 10.1142/S021797921550229X
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- Article
Magnetic ordering and electronic structure of the ternary iron arsenide.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2015, v. 29, n. 23, p. -1, doi. 10.1142/S0217979215501829
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- Article
Ab initio study of structural, electronic, magnetic and optical properties of Ti-doped ZnTe and CdTe.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2014, v. 28, n. 11, p. 1, doi. 10.1142/S0217979214500805
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- Article
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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- Article
STRUCTURAL, ELASTIC, ELECTRONIC, CHEMICAL BONDING AND OPTICAL PROPERTIES OF <sub>2</sub>Se (M = Li, Na, K, Rb)THROUGH FIRST PRINCIPLE STUDY.
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2013, v. 27, n. 30, p. 1350170-1, doi. 10.1142/S0217979213501701
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- Article
DFT-BASED AB INITIO STUDY OF THE ELECTRONIC AND OPTICAL PROPERTIES OF CESIUM BASED FLUORO-PEROVSKITE <sub>3</sub> ( AND ).
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- International Journal of Modern Physics B: Condensed Matter Physics; Statistical Physics; Applied Physics, 2012, v. 26, n. 32, p. -1, doi. 10.1142/S0217979212501998
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- Article
Martensitic transformation, electronic structure and magnetism in D0<sub>3</sub>‐ordered Heusler Mn<sub>3</sub>Z (Z = B, Al, Ga, Ge, Sb) alloys.
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- Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2018, v. 74, n. 6, p. 673, doi. 10.1107/S2052520618013525
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- Article
First-principle investigations of structural, electronic, thermal, and mechanical properties of AlP<sub>1−x</sub>Bi<sub>x</sub> alloys.
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- Journal of Molecular Modeling, 2023, v. 29, n. 4, p. 1, doi. 10.1007/s00894-023-05497-5
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- Article
Correction to: Phosphide in gallium bismuth: structural, electronic, elastic, and optical properties of GaP<sub>x</sub>Bi<sub>1−x</sub> alloys.
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- 2022
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- Correction Notice
Phosphide in gallium bismuth: structural, electronic, elastic, and optical properties of GaP<sub>x</sub>Bi<sub>1−x</sub> alloys.
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- Journal of Molecular Modeling, 2022, v. 28, n. 7, p. 1, doi. 10.1007/s00894-022-05167-y
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- Article
Phase stability and optoelectronic characteristics of Ba1−xBexS: a DFT-based simulation.
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- Journal of Molecular Modeling, 2020, v. 26, n. 6, p. 1, doi. 10.1007/s00894-020-04370-z
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- Article
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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- Article
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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- Article
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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- Article
First-Principles Study of Structural, Optical, and Thermodynamic Properties of ZnInX (X = Se, Te) Compounds with DC or DF Structure.
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- Journal of Electronic Materials, 2017, v. 46, n. 1, p. 401, doi. 10.1007/s11664-016-4831-8
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- Article
Investigating the Structural, Thermal, and Electronic Properties of the Zircon-Type ZrSiO, ZrGeO and HfSiO Compounds.
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- Journal of Electronic Materials, 2016, v. 45, n. 11, p. 5811, doi. 10.1007/s11664-016-4767-z
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- Article
First Principles Investigation of the Elastic, Optoelectronic and Thermal Properties of XRuSb: (X = V, Nb, Ta) Semi-Heusler Compounds Using the mBJ Exchange Potential.
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- Journal of Electronic Materials, 2016, v. 45, n. 7, p. 3479, doi. 10.1007/s11664-016-4488-3
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- Article
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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- Article
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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- Article
Optoelectronic and Magnetic Properties of Eu<sub>2</sub>Si<sub>5</sub>N<sub>8</sub>: An Ab-initio Study.
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- Zeitschrift für Naturforschung Section A: A Journal of Physical Sciences, 2015, v. 70, n. 11, p. 897, doi. 10.1515/zna-2015-0187
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- Article
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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- Article
Structural, Chemical Bonding, Electronic and Magnetic Properties of XY<sub>3</sub>(X = Al, Ga and Y = V, Nb, Cr, Mo) Compounds.
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- Acta Physica Polonica: A, 2015, v. 127, n. 3, p. 770, doi. 10.12693/APhysPolA.127.770
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- Article
Direct band gap nature and optical response of BeMgZnSe.
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- Modern Physics Letters B, 2016, v. 30, n. 3, p. -1, doi. 10.1142/S021798491650007X
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- Article
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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- Article
Insight view of mechanical, electronic and thermodynamic properties of the novel intermetallic REPt4In4 (RE = Eu, Gd, Tb, Dy, Ho) compounds via ab initio calculations.
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- Bulletin of Materials Science, 2020, v. 43, n. 1, p. 1, doi. 10.1007/s12034-020-02095-6
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- Article
Structural, Electronic, and Magnetic Characteristics of Co<sub>1-x</sub>Fe<sub>x</sub>MnSb: Insight from DFT Computation.
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- Journal of Superconductivity & Novel Magnetism, 2024, v. 37, n. 1, p. 277, doi. 10.1007/s10948-023-06669-3
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- Article
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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- Article
The Implications of Pressure on Electronic, Magnetic, Mechanical, and Elastic Properties of Cobalt and Cobalt Hydride: DFT Calculation.
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- Journal of Superconductivity & Novel Magnetism, 2020, v. 33, n. 11, p. 3451, doi. 10.1007/s10948-020-05575-2
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- Article
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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- Article
First-Principle Calculations of Structural, Elastic, and Electronic Properties of Intermetallic Rare Earth RNiPb (R = Ho, Lu, and Sm) Compounds.
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- Journal of Superconductivity & Novel Magnetism, 2018, v. 31, n. 2, p. 395, doi. 10.1007/s10948-017-4234-y
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- Article
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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- Article
An accurate DFT insights into optoelectronic, magnetic, thermodynamic and thermoelectric characteristics of monoclinic spiroffite Co<sub>2</sub>Te<sub>3</sub>O<sub>8</sub>.
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- Optical & Quantum Electronics, 2024, v. 56, n. 8, p. 1, doi. 10.1007/s11082-024-07170-4
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- Article
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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- Article
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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- Article
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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- Article
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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- Article
Structural, electronic, and optical properties of orthorhombic and triclinic BiNbO determined via DFT calculations.
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- Journal of Materials Science, 2014, v. 49, n. 22, p. 7809, doi. 10.1007/s10853-014-8491-x
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- Article
Elastic, optoelectronic, and thermal properties of cubic CSiN: an ab initio study.
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- Journal of Materials Science, 2013, v. 48, n. 23, p. 8235, doi. 10.1007/s10853-013-7636-7
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- Article
Electronic structure, X-ray absorption, and optical spectroscopy of LaCoO<sub>3</sub> in the ground-state and excited-states.
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- Journal of Computational Chemistry, 2012, v. 33, n. 6, p. 673, doi. 10.1002/jcc.22896
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- Article