First-Principles Study of Lattice Dynamics and Thermal Properties of Alkaline-Earth Metal Nitrides CaN, SrN, and BaN

Moulay Hadj Ahmed Mazouz; Amina Aiche; Doumi Bendouma; Abdelkader Tadjer

doi:10.1007/s10948-017-4007-7

First-Principles Study of Lattice Dynamics and Thermal Properties of Alkaline-Earth Metal Nitrides CaN, SrN, and BaN

Journal of Superconductivity and Novel Magnetism ◽

10.1007/s10948-017-4007-7 ◽

2017 ◽

Vol 30 (8) ◽

pp. 2091-2097 ◽

Cited By ~ 1

Author(s):

Moulay Hadj Ahmed Mazouz ◽

Amina Aiche ◽

Doumi Bendouma ◽

Abdelkader Tadjer

Keyword(s):

Thermal Properties ◽

First Principles ◽

Lattice Dynamics ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

Metal Nitrides ◽

First Principles Study

First principles study of the optical properties of alkaline-earth metal nitrides

Computational Materials Science ◽

10.1016/j.commatsci.2010.05.028 ◽

2010 ◽

Vol 49 (2) ◽

pp. 400-406 ◽

Cited By ~ 6

Author(s):

M. Dadsetani ◽

R. Beiranvand

Keyword(s):

Optical Properties ◽

First Principles ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

Metal Nitrides ◽

First Principles Study

Lattice dynamics and thermodynamic properties of alkaline-earth metal carbides XC ( $$\hbox {X}=\hbox {Ca}$$ X = Ca , Sr and Ba) in the rocksalt structure: a first-principles study

Journal of Computational Electronics ◽

10.1007/s10825-017-1035-2 ◽

2017 ◽

Vol 16 (3) ◽

pp. 526-534 ◽

Cited By ~ 2

Author(s):

Hadj Moulay Ahmed Mazouz ◽

Amina Aiche ◽

Bendouma Doumi ◽

Abdelkader Tadjer

Keyword(s):

Thermodynamic Properties ◽

First Principles ◽

Lattice Dynamics ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

Metal Carbides ◽

First Principles Study ◽

Rocksalt Structure

Electronic Structure, Lattice Dynamics, and Superconducting Properties of Mercury-Alkaline Earth Metal Compounds: a First-Principles Study

Journal of Superconductivity and Novel Magnetism ◽

10.1007/s10948-019-5124-2 ◽

2019 ◽

Vol 32 (11) ◽

pp. 3425-3430

Author(s):

Harsha Pawar ◽

Mahendra Aynyas ◽

Mani Shugani ◽

Sankar P. Sanyal

Keyword(s):

Electronic Structure ◽

First Principles ◽

Lattice Dynamics ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

Superconducting Properties ◽

Metal Compounds ◽

First Principles Study

Half metallic ferromagnetism in alkaline-earth metal nitrides XN (X=Ca, Sr and Ba): A first principles study

Journal of Magnetism and Magnetic Materials ◽

10.1016/j.jmmm.2013.07.001 ◽

2013 ◽

Vol 346 ◽

pp. 26-37 ◽

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R. Rajeswara Palanichamy ◽

G. Sudha Priyanga ◽

A. Jemmy Cinthia ◽

A. Murugan ◽

A.T. Asvini Meenaatci ◽

...

Keyword(s):

First Principles ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

Metal Nitrides ◽

Half Metallic ◽

First Principles Study ◽

Metallic Ferromagnetism ◽

Half Metallic Ferromagnetism

Lattice dynamics and thermodynamic properties of alkaline earth metal nitrates M(NO3)2 (M = Sr, Ba): A first principles study

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2018.06.039 ◽

2018 ◽

Vol 122 ◽

pp. 268-277 ◽

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Author(s):

B. Adivaiah ◽

E. Narsimha Rao ◽

T. Atahar Parveen ◽

G. Vaitheeswaran

Keyword(s):

Thermodynamic Properties ◽

First Principles ◽

Lattice Dynamics ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

First Principles Study ◽

Metal Nitrates

First-principles study of the magnetic properties of nitrogen-doped alkaline earth metal oxides

Physica B Condensed Matter ◽

10.1016/j.physb.2011.08.044 ◽

2012 ◽

Vol 407 (15) ◽

pp. 2875-2878 ◽

Cited By ~ 17

Author(s):

Masayoshi Seike ◽

Van An Dinh ◽

Kazunori Sato ◽

Hiroshi Katayama Yoshida

Keyword(s):

Magnetic Properties ◽

Metal Oxides ◽

First Principles ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

Nitrogen Doped ◽

First Principles Study ◽

Alkaline Earth Metal Oxides

First principles study of alkali and alkaline earth metal ions adsorption and diffusion on penta-graphene

Solid State Ionics ◽

10.1016/j.ssi.2019.115062 ◽

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Vol 342 ◽

pp. 115062 ◽

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Author(s):

Hewen Wang ◽

Wenwei Luo ◽

Zhengfang Tian ◽

Chuying Ouyang

Keyword(s):

Metal Ions ◽

First Principles ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

First Principles Study ◽

Alkaline Earth Metal Ions ◽

And Diffusion

Adsorption of alkali and alkaline-earth metal atoms on stanene: A first-principles study

Materials Chemistry and Physics ◽

10.1016/j.matchemphys.2016.06.014 ◽

2016 ◽

Vol 180 ◽

pp. 326-331 ◽

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Yelda Kadioglu ◽

Fatih Ersan ◽

Gökhan Gökoğlu ◽

Olcay Üzengi Aktürk ◽

Ethem Aktürk

Keyword(s):

First Principles ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

First Principles Study ◽

Metal Atoms

First-principles study of cubic alkaline-earth metal zirconate perovskites

Journal of Physics Communications ◽

10.1088/2399-6528/abe9fd ◽

2021 ◽

Vol 5 (3) ◽

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Author(s):

Aneer Lamichhane ◽

N M Ravindra

Keyword(s):

First Principles ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

First Principles Study

Pressure-induced stability and polymeric nitrogen in alkaline earth metal N-rich nitrides (XN6, X = Ca, Sr and Ba): a first-principles study

RSC Advances ◽

10.1039/d1ra01631h ◽

2021 ◽

Vol 11 (28) ◽

pp. 17222-17228

Author(s):

Zhipeng Liu ◽

Shuli Wei ◽

Yanhui Guo ◽

Haiyang Sun ◽

Hao Sun ◽

...

Keyword(s):

Network Structure ◽

First Principles ◽

Alkaline Earth ◽

Earth Metal ◽

Alkaline Earth Metal ◽

Ring Network ◽

First Principles Study ◽

Polymeric Nitrogen

The Fddd-SrN6 structure can transform into P1̄-SrN6, and polymerized to infinite nitrogen chain structures at P = 22 GPa. For BaN6, the Fmmm-BaN6 structure can transform into C2/m-BaN6, and polymerized to N6 ring network structure at P = 110 GPa.