Works matching DE "DENSITY of states"
Results: 1716
Prediction of ferromagnetic characteristics of gold doped SiC nanotubes for application in spintronic devices.
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- Technium, 2025, v. 26, p. 1
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- Article
The modulation of the TiAlSiN coating on the band gap of monolayer MoS<sub>2</sub>.
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- Surface Engineering, 2021, v. 37, n. 4, p. 505, doi. 10.1080/02670844.2020.1790169
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- Article
Derivation of density of states in amorphous AlZnSnO thin film transistors by changing oxygen contents: Derivation of density of states in amorphous AlZnSnO...: S. J. Kim et al.
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- Optical & Quantum Electronics, 2025, v. 57, n. 1, p. 1, doi. 10.1007/s11082-024-07986-0
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- Article
DFT study of elastic, structural, and optical properties of K<sub>2</sub>InAgZ<sub>6</sub> (Z = Cl, Br, I) perovskites: potential for optoelectronic applications.
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- Optical & Quantum Electronics, 2024, v. 56, n. 12, p. 1, doi. 10.1007/s11082-024-07769-7
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Ab-initio investigation of AGeO<sub>3</sub> (A = Mg, Cd) perovskites: structural, elastic, and optoelectronic properties.
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- Optical & Quantum Electronics, 2024, v. 56, n. 11, p. 1, doi. 10.1007/s11082-024-07776-8
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- Article
First-principles investigation on the optoelectronic characteristics of multilayer borophene.
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- Optical & Quantum Electronics, 2024, v. 56, n. 11, p. 1, doi. 10.1007/s11082-024-07770-0
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Quantum chemical tailoring of intrinsic donor–acceptor configurations as efficient nonlinear optical materials.
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- Optical & Quantum Electronics, 2024, v. 56, n. 11, p. 1, doi. 10.1007/s11082-024-06428-1
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The effects of bias voltage and magnetic field on optical properties of boron phosphide monolayer.
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- Optical & Quantum Electronics, 2024, v. 56, n. 9, p. 1, doi. 10.1007/s11082-024-07360-0
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- Article
Investigation of structure, optoelectronic, and thermodynamic properties of gallium-based perovskites GaMF<sub>3</sub> (M = Ca, and Cd) for solar cell applications.
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- Optical & Quantum Electronics, 2024, v. 56, n. 9, p. 1, doi. 10.1007/s11082-024-07354-y
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Evaluation of structural, electronic, optical, mechanical, and thermodynamic properties of LiXCl<sub>3</sub> (X = Sn, Pb) for solar cell applications: first-principles approach.
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- Optical & Quantum Electronics, 2024, v. 56, n. 8, p. 1, doi. 10.1007/s11082-024-07212-x
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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
The screening of the potential features of potassium-based K<sub>2</sub>BGaI<sub>6</sub> (B = Tl, Rb) double perovskites for eco-friendly technologies: a first-principles study.
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- Optical & Quantum Electronics, 2024, v. 56, n. 7, p. 1, doi. 10.1007/s11082-024-07117-9
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- Article
Ni-modified boron nitride nanocones as nonlinear optical active drug carriers, a DFT study.
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- Optical & Quantum Electronics, 2024, v. 56, n. 7, p. 1, doi. 10.1007/s11082-024-07087-y
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- Article
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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- Article
Ab initio analysis of structural, optoelectronic, thermoelectric, and elastic characteristics of K<sub>2</sub>MBiBr<sub>6</sub> (M = Na, Ag, and Cu) for green energy.
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- Optical & Quantum Electronics, 2024, v. 56, n. 5, p. 1, doi. 10.1007/s11082-024-06790-0
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- Article
New methods to increase PVR in gate controllable armchair graphene-boron nitride RTDs.
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- Optical & Quantum Electronics, 2024, v. 56, n. 4, p. 1, doi. 10.1007/s11082-024-06305-x
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- Article
First-principles calculations to investigate impact of Ga and In dopants on the electronic and optical features of boron phosphide.
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- Optical & Quantum Electronics, 2024, v. 56, n. 3, p. 1, doi. 10.1007/s11082-023-06057-0
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- Article
Impact of dopant (Mg, Be) elements on structural and optoelectronic properties of RbCaF<sub>3</sub>: GGA-PBE based computational estimation.
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- Optical & Quantum Electronics, 2024, v. 56, n. 2, p. 1, doi. 10.1007/s11082-023-05740-6
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A computational study of electronic, optical, and mechanical properties of novel Ba<sub>3</sub>SbI<sub>3</sub> perovskite using DFT.
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- Optical & Quantum Electronics, 2024, v. 56, n. 2, p. 1, doi. 10.1007/s11082-023-05738-0
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Modeling of light absorption in self-assembled truncated conical quantum dot structures.
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- Optical & Quantum Electronics, 2024, v. 56, n. 2, p. 1, doi. 10.1007/s11082-023-05726-4
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A first principles study of Palladium-based full Heusler ferromagnetic Pd<sub>2</sub>MnSb compound.
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- Optical & Quantum Electronics, 2024, v. 56, n. 2, p. 1, doi. 10.1007/s11082-023-05463-8
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- Article
Fine band gap tuning via Sr incorporated PbTiO<sub>3</sub> for optoelectronic application: a DFT study.
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- Optical & Quantum Electronics, 2024, v. 56, n. 1, p. 1, doi. 10.1007/s11082-023-05775-9
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- Article
Insight into the physical properties of beryllium-based ternary centro-symmetric fluoroperovskites BeXF<sub>3</sub> (X = Bi, Y, Al, Sc, and In) compounds using the first-principle approach.
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- Optical & Quantum Electronics, 2023, v. 55, n. 10, p. 1, doi. 10.1007/s11082-023-05190-0
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The comparative investigations of structural, optoelectronic, and mechanical properties of AgBeX<sub>3</sub> (X = F and Cl) metal halide-perovskites for prospective energy applications utilizing DFT approach.
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- Optical & Quantum Electronics, 2023, v. 55, n. 10, p. 1, doi. 10.1007/s11082-023-05187-9
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First principle study of the optoelectronic properties of pyrazinamide drug.
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- Optical & Quantum Electronics, 2023, v. 55, n. 8, p. 1, doi. 10.1007/s11082-023-05041-y
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Enhancing quantum correlation at zero-IF band by confining the thermally excited photons: InP hemt circuitry effect.
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- Optical & Quantum Electronics, 2023, v. 55, n. 8, p. 1, doi. 10.1007/s11082-023-04850-5
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Study of optical, magnetic, electronic, thermodynamic and mechanical properties of effect of substitution Co on Ti site on half metallicity of XA type ordering of Ti<sub>2</sub>FeGe compound.
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- Optical & Quantum Electronics, 2023, v. 55, n. 7, p. 1, doi. 10.1007/s11082-023-04894-7
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Structural, optical and electronic properties of novel 2D carbides and nitrides MXene based Materials: A DFT study.
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- Optical & Quantum Electronics, 2023, v. 55, n. 7, p. 1, doi. 10.1007/s11082-023-04803-y
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- Article
Theoretical investigations on electronic and optical properties of half heusler alloy,FeNbSb for opto-electronic applications.
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- Optical & Quantum Electronics, 2022, v. 54, n. 11, p. 1, doi. 10.1007/s11082-022-03919-x
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First principles investigation of the electronic and optical properties of SnF<sub>3</sub> as a valence-skipping compound.
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- Optical & Quantum Electronics, 2021, v. 53, n. 9, p. 1, doi. 10.1007/s11082-021-03118-0
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- Article
The electronic and optical properties of ThO<sub>2</sub> under pressure calculated by GGA + U method.
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- Optical & Quantum Electronics, 2021, v. 53, n. 8, p. 1, doi. 10.1007/s11082-021-03119-z
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- Article
Effect of anomalous behavior of Be-doping on structural stability, bandgap and optical properties in comparison with Mg-doped BaZrO3 perovskite: insights from DFT calculations.
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- Optical & Quantum Electronics, 2020, v. 52, n. 5, p. 1, doi. 10.1007/s11082-020-02349-x
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- Article
Effect of ZnS, iZnO, dZnO and Cu(In,Ga)Se<sub>2</sub> thickness on the performance of simulated Mo/Cu(In,Ga)Se<sub>2</sub>/ZnS/iZnO/dZnO solar cell.
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- Optical & Quantum Electronics, 2019, v. 51, n. 8, p. N.PAG, doi. 10.1007/s11082-019-1983-9
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- Article
Electroluminescence from n-ZnO microdisks/p-GaN heterostructure.
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- Optical & Quantum Electronics, 2019, v. 51, n. 5, p. N.PAG, doi. 10.1007/s11082-019-1853-5
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- Article
Theoretical investigation of spontaneous polarization, electronic and optical properties of cubic perovskite BaHfO.
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- Optical & Quantum Electronics, 2015, v. 47, n. 8, p. 2889, doi. 10.1007/s11082-015-0178-2
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- Article
Analysis of carrier heating effects in quantum well semiconductor optical amplifiers considering holes' non-parabolic density of states.
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- Optical & Quantum Electronics, 2015, v. 47, n. 7, p. 1847, doi. 10.1007/s11082-014-0049-2
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- Article
Cryogenic Electron Microscopy Challenges to Image the Nanoscale Exciton Density of States.
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- 2023
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- Abstract
Thiourea adsorption effect on electrical properties of boron nitride nanotubes.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2025, v. 144, n. 1, p. 1, doi. 10.1007/s00214-024-03163-4
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- Article
A density functional theory study on silicon carbide and carbon nanotube (11, 11) as drug delivery of Olutasidenib.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2025, v. 144, n. 1, p. 1, doi. 10.1007/s00214-024-03157-2
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- Article
Electronic and optical properties of several cluster-assembled materials based on Zn<sub>12</sub>O<sub>12</sub>: a first-principles study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2024, v. 143, n. 8, p. 1, doi. 10.1007/s00214-024-03139-4
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Modeling the infrared cascade spectra of small PAHs: the 11.2 μm band.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2021, v. 140, n. 9, p. 1, doi. 10.1007/s00214-021-02807-z
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- Article
Effects of Cr doping in δ-MoN: structural, magnetic and spin transport properties.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2020, v. 139, n. 7, p. 1, doi. 10.1007/s00214-020-02608-w
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- Article
Vibronic approach to the calculation of the decay rate of the photoexcited charge-transfer state of Guanine–Cytosine stacked dimer in water solution.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 9, p. 1, doi. 10.1007/s00214-016-1955-0
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The role of the oxide shell on the stability and energy storage properties of MWCNT@TiO2 nanohybrid materials used in Li-ion batteries.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 7, p. 1, doi. 10.1007/s00214-016-1940-7
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Choice of hybrid functional and basis set optimization to calculate the structural, electronic, mechanical, and vibrational properties of BaSnO3.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 6, p. 1, doi. 10.1007/s00214-016-1901-1
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- Article
Structural characteristics and photoinduced carrier behaviors of the mixed-phase BiVO4: a first-principles theoretical study.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2016, v. 135, n. 5, p. 1, doi. 10.1007/s00214-016-1893-x
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- Article
Lateral interaction and spectroscopic constants of CO adsorbed on ZnO.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2015, v. 134, n. 4, p. 1, doi. 10.1007/s00214-015-1651-5
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A semiclassical adiabatic calculation of state densities for molecules exhibiting torsion: application to hydrogen peroxide and its isotopomers.
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- Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2014, v. 133, n. 9, p. 1, doi. 10.1007/s00214-014-1530-5
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- Article
Granular wave-solid state: an accident of density inversion?
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- Granular Matter, 2022, v. 24, n. 4, p. 1, doi. 10.1007/s10035-022-01266-y
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- Article
The Planck clusters in the LOFAR sky: III. LoTSS-DR2: Dynamic states and density fluctuations of the intracluster medium.
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- Astronomy & Astrophysics / Astronomie et Astrophysique, 2023, v. 672, p. 1, doi. 10.1051/0004-6361/202244761
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- Article