First-Principles Calculations with Six Structures of Alkaline Earth Metal Cyanide A(CN)<sub>2</sub> (A = Be, Mg, Ca, Sr, and Ba): Structural, Electrical, and Phonon Properties-Reference-Cited by-同舟云学术

First-Principles Calculations with Six Structures of Alkaline Earth Metal Cyanide A(CN)₂ (A = Be, Mg, Ca, Sr, and Ba): Structural, Electrical, and Phonon Properties

Published:2023-01-11 Issue:3 Volume:8 Page:2973-2981
ISSN:2470-1343
Container-title:ACS Omega
language:en
Short-container-title:ACS Omega

Author:

Leong Pak Kin¹^ORCID,Sekine Toshimori²,Tam Kuan Vai³^ORCID,Tam Sok I.⁴^ORCID,Tang Chi Pui¹⁴

Affiliation:

1. State Key Laboratory of Lunar and Planetary Sciences, Macau University of Science and Technology, Taipa 999078, Macao, China

2. Center for High Pressure Science and Technology Advanced Research, Shanghai 201203, China

3. School of Astronomy and Space Science, Nanjing University, Nanjing 210093, China

4. Faculty of Innovation Engineering, Macau University of Science and Technology, Taipa 999078, Macao, China

Funder

Fundo para o Desenvolvimento das Ci?ncias e da Tecnologia

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acsomega.2c05667

Reference58 articles.

1. Pressure-induced structural phase transitions in materials and earth sciences

2. Matrix Infrared Spectra and Electronic Structure Calculations of Linear Alkaline Earth Metal Di-isocyanides CNMNC, Ionic (NC)M(NC) Bowties, and Ionic (MNC)2 Rings

3. High-pressure behavior ofBa(OH)2: Phase transitions and bulk modulus

4. Pressure‐induced splitting and collapsing of the CN stretching vibration band in the Raman spectrum of crystalline Hg(CN)2

5. The structural variations of monomeric alkaline earth MX2 compounds (M = calcium, strontium, barium; X = Li, BeH, BH2, CH3, NH2, OH, F). An ab initio pseudopotential study

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