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Novel tetragonal boron pnictides BX (X = N, P, As, Sb, Bi) with square B2X2 motifs from crystal chemistry and first principles

• Authors : Matar, Samir; Solozhenko, Vladimir;

Subjects: boron pnictides; DFT; crystal structure

• Source: ISSN: 2073-4352 ; Crystals ; https://hal.science/hal-04543511 ; Crystals, 2024, 14 (4), pp.359. ⟨10.3390/cryst14040359⟩.

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Detection of a Jahn–Teller mode as an ultrafast fingerprint of spin-transition-induced charge transfer in CoFe Prussian Blue Analogue

• Authors : Hervé, Marius; Marekha, Bogdan; Mazerat, Sandra ...

• Source: Materials Advances ; volume 5, issue 8, page 3357-3366 ; ISSN 2633-5409

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Original orthorhombic tetrahedral and trigonal hybrid allotropes Cn with n= 8, 10, 12, 14 possessing ethene -like and propadiene -like units: Crystal chemistry and first principles ...

• Authors : Matar, Samir F.

Subjects: Materials Science cond-mat.mtrl-sci; FOS Physical sciences

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Detection of a Jahn-Teller mode as an ultrafast fingerprint of spin-transition-induced charge transfer in CoFe Prussian Blue Analogue

• Authors : Hervé, Marius; Marekha, Bogdan; Mazérat, Sandra ...

Subjects: [PHYS]Physics [physics]

• Source: EISSN: 2633-5409 ; Materials Advances ; https://hal.science/hal-04532697 ; Materials Advances, 2024, ⟨10.1039/d3ma01072d⟩

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Superhard lon C5 and derived carbon nitrides: C4N and C2N2. Crystal chemistry and first principles DFT studies ...

• Authors : Matar, Samir F

Subjects: Materials Science cond-mat.mtrl-sci; FOS Physical sciences

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Prediction of novel ultrahard phases in the B–C–N system from first principles: Progress and problems

• Authors : Solozhenko, Vladimir; Matar, Samir;

Subjects: B-C-N system; DFT; crystal structure

• Source: ISSN: 1996-1944 ; Materials ; https://hal.science/hal-03947718 ; Materials, 2023, 16 (2), pp.886. ⟨10.3390/ma16020886⟩.

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Novel ultrahard extended hexagonal C10, C14 and C18 allotropes with mixed sp2/sp3 hybridizations: Crystal chemistry and ab initio investigations

• Authors : Matar, Samir; Eyert, Volker; Solozhenko, Vladimir ...

Subjects: diamond; polytype,s hardness; phonon,s electron structure

• Source: ISSN: 2311-5629 ; Journal of Carbon Research ; https://hal.science/hal-03947749 ; Journal of Carbon Research, 2023, 9 (1), pp.11. ⟨10.3390/c9010011⟩.

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Novel (super)hard SiCN from crystal chemistry and first principles

• Authors : Matar, Samir; Etourneau, Jean; Solozhenko, Vladimir ...

Subjects: Silicon carbonitride; DFT; phonon dispersions

• Source: ISSN: 1876-990X ; Silicon ; https://hal.science/hal-03948877 ; Silicon, 2023, 15 (1), pp.511-520. ⟨10.1007/s12633-022-02033-7⟩.

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Novel ultrahard sp2/sp3 hybrid carbon allotrope from crystal chemistry and first principles: Body-centered tetragonal C6 (‘neoglitter’)

• Authors : Matar, Samir; Solozhenko, Vladimir;

Subjects: Carbon; crystal chemistry; DFT

• Source: ISSN: 0925-9635 ; Diamond and Related Materials ; https://hal.science/hal-03969055 ; Diamond and Related Materials, 2023, 133, pp.109747. ⟨10.1016/j.diamond.2023.109747⟩.

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Crystal chemistry and first principles studies of novel superhard tetragonal C7, C5N2, and C3N4

• Authors : Matar, Samir; Solozhenko, Vladimir;

Subjects: carbon nitrides; DFT; crystal structures

• Source: ISSN: 2073-4352 ; Crystals ; https://hal.science/hal-04163007 ; Crystals, 2023, 13 (7), pp.1111. ⟨10.3390/cryst13071111⟩.

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