Structural, electronic and magnetic properties of Pr-based filled skutterudites: A first principle study

Electronic and magnetic properties of yttria-stabilized zirconia (6.7 mol% in Y2O3) doped with Er3+ ions from first-principle computations

Journal of Materials Science ◽

10.1007/s10853-021-05793-6 ◽

2021 ◽

Vol 56 (13) ◽

pp. 8014-8023

Author(s):

Hassan Denawi ◽

Panaghiotis Karamanis ◽

Michel Rérat

Keyword(s):

Magnetic Properties ◽

Yttria Stabilized Zirconia ◽

First Principle ◽

Stabilized Zirconia ◽

Electronic And Magnetic Properties

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Tunable electronic and magnetic properties of single layer CdS via Li substitutional doping: A first-principle study

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2021.110380 ◽

2021 ◽

pp. 110380

Author(s):

Altaf Ur Rahman ◽

Talha Sadiq ◽

Rashid Khan ◽

Rimsha Anwar ◽

Banat Gul ◽

...

Keyword(s):

Magnetic Properties ◽

Single Layer ◽

First Principle ◽

Electronic And Magnetic Properties ◽

Substitutional Doping

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First principle calculations of electronic and magnetic properties of Cr doped HgSe

Physica B Condensed Matter ◽

10.1016/j.physb.2019.06.013 ◽

2019 ◽

Vol 570 ◽

pp. 110-115 ◽

Cited By ~ 2

Author(s):

F. Goumrhar ◽

F.Z. Chafi ◽

L. Bahmad

Keyword(s):

Magnetic Properties ◽

First Principle ◽

Electronic And Magnetic Properties ◽

First Principle Calculations

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Electronic and magnetic properties of Tm doped ZnO: a first principle study

First iiScience International Conference 2020 ◽

10.1117/12.2575123 ◽

2020 ◽

Author(s):

Mubushra Umbreen ◽

Malika Rani ◽

Nisar Ahmed

Keyword(s):

Magnetic Properties ◽

First Principle ◽

Electronic And Magnetic Properties ◽

Doped Zno

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Electronic and Magnetic Properties of Bulk and Monolayer CrSi2: A First-Principle Study

Applied Sciences ◽

10.3390/app8101885 ◽

2018 ◽

Vol 8 (10) ◽

pp. 1885 ◽

Cited By ~ 3

Author(s):

Shaobo Chen ◽

Ying Chen ◽

Wanjun Yan ◽

Shiyun Zhou ◽

Xinmao Qin ◽

...

Keyword(s):

Magnetic Properties ◽

Density Functional ◽

Phonon Dispersion ◽

First Principle ◽

Metallic Behavior ◽

Functional Theory ◽

Phonon Dispersion Curves ◽

Electronic And Magnetic Properties ◽

Quantum Size ◽

Spin Polarized

We investigated the electronic and magnetic properties of bulk and monolayer CrSi2 using first-principle methods based on spin-polarized density functional theory. The phonon dispersion, electronic structures, and magnetism of bulk and monolayer CrSi2 were scientifically studied. Calculated phonon dispersion curves indicated that both bulk and monolayer CrSi2 were structurally stable. Our calculations revealed that bulk CrSi2 was an indirect gap nonmagnetic semiconductor, with 0.376 eV band gap. However, monolayer CrSi2 had metallic and ferromagnetic (FM) characters. Both surface and confinement effects played an important role in the metallic behavior of monolayer CrSi2. In addition, we also calculated the magnetic moment of unit cell of 2D multilayer CrSi2 nanosheets with different layers. The results showed that magnetism of CrSi2 nanosheets was attributed to band energy between layers, quantum size, and surface effects.

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First-Principle and Monte Carlo Calculations of Structural, Electronic and Magnetic Properties of the Double Perovskite Sr2TiMoO6

Journal of Low Temperature Physics ◽

10.1007/s10909-020-02510-6 ◽

2020 ◽

Vol 201 (3-4) ◽

pp. 437-450

Author(s):

S. Amraoui ◽

A. Feraoun ◽

M. Kerouad

Keyword(s):

Monte Carlo ◽

Magnetic Properties ◽

Double Perovskite ◽

First Principle ◽

Electronic And Magnetic Properties ◽

Monte Carlo Calculations

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The Structural, Electronic, and Magnetic Properties of Binary Heusler Alloys ZCl3 (Z = Li, Na, K, Rb) with DO3-Type Structure from First Principle Calculations

Journal of Superconductivity and Novel Magnetism ◽

10.1007/s10948-019-5084-6 ◽

2019 ◽

Vol 32 (10) ◽

pp. 3217-3226 ◽

Cited By ~ 1

Author(s):

Jun-Tao Song ◽

Xiu-Mei Wei ◽

Jian-Min Zhang

Keyword(s):

Magnetic Properties ◽

Heusler Alloys ◽

Type Structure ◽

First Principle ◽

Electronic And Magnetic Properties ◽

First Principle Calculations

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First-principle study of structural, electronic and magnetic properties of chromium-doped magnesium selenide: An interesting demonstration of half-metallic ferromagnetism

Materials Science in Semiconductor Processing ◽

10.1016/j.mssp.2015.01.026 ◽

2015 ◽

Vol 33 ◽

pp. 110-118 ◽

Cited By ~ 12

Author(s):

Muhammad Rashid ◽

S.A. Ahmad ◽

Gavin S. Abo ◽

Muhammad Imran ◽

Fayyaz Hussain ◽

...

Keyword(s):

Magnetic Properties ◽

First Principle ◽

Half Metallic ◽

Electronic And Magnetic Properties ◽

Metallic Ferromagnetism ◽

Half Metallic Ferromagnetism

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First-Principle Study of Structural, Electronic, and Magnetic Properties of Strontium Mono Ferrite Ceramic

Journal of the American Ceramic Society ◽

10.1111/jace.13016 ◽

2014 ◽

Vol 97 (9) ◽

pp. 2832-2841

Author(s):

Hamdollah Salehi ◽

Zohre Javdani ◽

Hojat Allah Badehian ◽

Peiman Amiri

Keyword(s):

Magnetic Properties ◽

First Principle ◽

Electronic And Magnetic Properties

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First principle study of the electronic and magnetic properties of a single iron atomic chain encapsulated in boron nitrite nanotubes

Solid State Communications ◽

10.1016/j.ssc.2011.06.041 ◽

2011 ◽

Vol 151 (21) ◽

pp. 1635-1639 ◽

Cited By ~ 14

Author(s):

Ali Fathalian ◽

Jaafar Jalilian ◽

Sahar Shahidi

Keyword(s):

Magnetic Properties ◽

First Principle ◽

Atomic Chain ◽

Electronic And Magnetic Properties

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