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The study of structural, electronic, magnetic and magnetocaloric properties of antiperovskite carbides M 3 AlC (M=Mn and Fe): DFT combined with Monte Carlo simulation
The study of structural, electronic, magnetic and magnetocaloric properties of antiperovskite carbides M 3 AlC (M=Mn and Fe): DFT combined with Monte Carlo simulation
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The study of structural, electronic, magnetic and magnetocaloric properties of antiperovskite carbides M 3 AlC (M=Mn and Fe): DFT combined with Monte Carlo simulation

Azouaoui, A. ; Mouchou, S. ; Toual, Y. ; Benzakour, N. ; Hourmatallah, A.

Modern physics letters. B, Condensed matter physics, statistical physics, applied physics, 2024-10, Vol.38 (29) [Periódico revisado por pares]

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2
First principles insight into the study of the structural, stability, and optoelectronic properties of alkali‐based single halide perovskite ZSnCl 3 (Z = Na/K) materials for photovoltaic applications
First principles insight into the study of the structural, stability, and optoelectronic properties of alkali‐based single halide perovskite ZSnCl 3 (Z = Na/K) materials for photovoltaic applications
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First principles insight into the study of the structural, stability, and optoelectronic properties of alkali‐based single halide perovskite ZSnCl 3 (Z = Na/K) materials for photovoltaic applications

Geleta, Tesfaye Abebe ; Behera, Debidatta ; Bouri, Nabil ; Rivera, Victor José Ramirez ; Gonzalo, Fredy Mamani

Journal of computational chemistry, 2024-07 [Periódico revisado por pares]

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A systematic first‐principles investigation of the structural, electronic, mechanical, optical, and thermodynamic properties of Half‐Heusler ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn) for spintronics and optoelectronics applications
A systematic first‐principles investigation of the structural, electronic, mechanical, optical, and thermodynamic properties of Half‐Heusler ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn) for spintronics and optoelectronics applications
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A systematic first‐principles investigation of the structural, electronic, mechanical, optical, and thermodynamic properties of Half‐Heusler ANiX (ASc, Ti, Y, Zr, Hf; XBi, Sn) for spintronics and optoelectronics applications

Tarekuzzaman, Md ; Ishraq, Mohammad Hasin ; Rahman, Md. Atikur ; Irfan, Ahmed ; Rahman, Md. Zillur ; Akter, Mist. Shamima ; Abedin, Sumaya ; Rayhan, M. A. ; Rasheduzzaman, Md ; Hossen, M. Moazzam ; Hasan, Md. Zahid

Journal of computational chemistry, 2024-07 [Periódico revisado por pares]

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Ab Initio Investigation of the Relativistic Effect in the Physical Properties of Intermetallic Superconductor TlBi2${\rm TlBi}_2$ with AlB2${\rm AlB}_2$‐Type Hexagonal Layer Structure
Ab Initio Investigation of the Relativistic Effect in the Physical Properties of Intermetallic Superconductor TlBi2${\rm TlBi}_2$ with AlB2${\rm AlB}_2$‐Type Hexagonal Layer Structure
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Ab Initio Investigation of the Relativistic Effect in the Physical Properties of Intermetallic Superconductor TlBi2${\rm TlBi}_2$ with AlB2${\rm AlB}_2$‐Type Hexagonal Layer Structure

Tütüncü, H. M. ; Baǧcı, Sadık ; Uzunok, Hüseyin Yasin ; Srivastava, G. P.

Annalen der Physik, 2024-06 [Periódico revisado por pares]

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5
Maximization of linear independence of basis function products
Maximization of linear independence of basis function products
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Maximization of linear independence of basis function products

Sizov, Georgii N. ; Lazeran, Vincent ; Balada Gaggioli, Llorenç ; Staroverov, Viktor N.

The Journal of chemical physics, 2024-06, Vol.160 (23) [Periódico revisado por pares]

Melville: American Institute of Physics

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6
A diamond-bearing core-mantle boundary on Mercury
A diamond-bearing core-mantle boundary on Mercury
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A diamond-bearing core-mantle boundary on Mercury

Xu, Yongjiang ; Lin, Yanhao ; Wu, Peiyan ; Namur, Olivier ; Zhang, Yishen ; Charlier, Bernard

Nature communications, 2024-06, Vol.15 (1), p.5061-9, Article 5061 [Periódico revisado por pares]

London: Nature Publishing Group

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7
Mo–Si Alloys Studied by Atomistic Computer Simulations Using a Novel Machine‐Learning Interatomic Potential: Thermodynamics and Interface Phenomena
Mo–Si Alloys Studied by Atomistic Computer Simulations Using a Novel Machine‐Learning Interatomic Potential: Thermodynamics and Interface Phenomena
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Mo–Si Alloys Studied by Atomistic Computer Simulations Using a Novel Machine‐Learning Interatomic Potential: Thermodynamics and Interface Phenomena

Lenchuk, Olena ; Rohrer, Jochen ; Albe, Karsten

Advanced engineering materials, 2024-06 [Periódico revisado por pares]

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8
Binary quantum random number generator based on value indefinite observables
Binary quantum random number generator based on value indefinite observables
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Binary quantum random number generator based on value indefinite observables

Calude, Cristian S ; Svozil, Karl

Scientific reports, 2024-06, Vol.14 (1), p.12845-12845, Article 12845 [Periódico revisado por pares]

London: Nature Publishing Group

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9
A novel approach for generalized Green-Naghdi-type electro-magneto-thermo-hyperelasticity wave propagation and reflection investigations in near-incompressible layers under shock loads
A novel approach for generalized Green-Naghdi-type electro-magneto-thermo-hyperelasticity wave propagation and reflection investigations in near-incompressible layers under shock loads
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A novel approach for generalized Green-Naghdi-type electro-magneto-thermo-hyperelasticity wave propagation and reflection investigations in near-incompressible layers under shock loads

Mirparizi, M. ; Shariyat, M. ; Fotuhi, A. R.

Journal of thermal stresses, 2024-06, Vol.47 (6), p.743-765 [Periódico revisado por pares]

Philadelphia: Taylor & Francis

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10
Crystal structure, stability, and transport properties of Li2BeAl and Li2BeGa Heusler alloys: a DFT study
Crystal structure, stability, and transport properties of Li2BeAl and Li2BeGa Heusler alloys: a DFT study
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Crystal structure, stability, and transport properties of Li2BeAl and Li2BeGa Heusler alloys: a DFT study

Mahmoudi, Sima ; Golzan, Mir Maqsood ; Nemati-Kande, Ebrahim

Scientific reports, 2024-05, Vol.14 (1), p.12201-12201, Article 12201 [Periódico revisado por pares]

London: Nature Publishing Group

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Deste Autor:

  1. Murnaghan, F
  2. Ames, J
  3. MURNAGHAN,F
  4. Bloom, H

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