Theoretical Calculations for Elastic and Thermodynamic Properties of NbN₂ under High Pressure

Hou, Bao-Sen; Liu, Ke; Mao, Xiao-Chun; Tan, Jiao; Zhou, Xiao-Lin

doi:10.12693/APhysPolA.132.1363

Journal

Acta Physica Polonica A

2017 | 132 | 4 | 1363-1370

Article title

Theoretical Calculations for Elastic and Thermodynamic Properties of NbN₂ under High Pressure

Authors

Bao-Sen Hou , Ke Liu , Xiao-Chun Mao , Jiao Tan , Xiao-Lin Zhou

Content

Full texts:

http://przyrbwn.icm.edu.pl/APP/PDF/132/app132z4p27.pdf [remote]

Title variants

Languages of publication

Abstracts

The structural and elastic properties of NbN₂ at high pressures were investigated through the first-principles calculation. Results indicate that NbN₂ is a potential hard material. NbN₂ meets mechanical stability criteria and possesses ductility within the pressure of 100 GPa. The elastic anisotropy under high pressure was achieved by the elastic anisotropy factors, which reduce with increasing pressure. Using the quasi-harmonic Debye model, we also investigated the thermodynamic properties of NbN₂.

Keywords

high temperature and high pressure elastic constants anisotropy Debye temperature NbN₂

Publisher

Institute of Physics, Polish Academy of Sciences

Journal

Acta Physica Polonica A

Year

2017

Volume

132

Issue

Pages

1363-1370

Physical description

Dates

published

2017-10

received

2017-03-31

(unknown)

2017-07-29

Contributors

author

Bao-Sen Hou

College of Physics and Electronic Engineering, Sichuan Normal University, Chengdu 610101, P.R. China

author

Ke Liu

College of Physics and Electronic Engineering, Sichuan Normal University, Chengdu 610101, P.R. China
School of Micro-Electronics and Solid-State Electronics, University of Electronic Science and Technology, Chengdu 610054, P.R. China

author

Xiao-Chun Mao

College of Physics and Electronic Engineering, Sichuan Normal University, Chengdu 610101, P.R. China

author

Jiao Tan

College of Physics and Electronic Engineering, Sichuan Normal University, Chengdu 610101, P.R. China

author

Xiao-Lin Zhou

College of Physics and Electronic Engineering, Sichuan Normal University, Chengdu 610101, P.R. China

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Document Type

Publication order reference

Identifiers

DOI

10.12693/APhysPolA.132.1363

YADDA identifier

bwmeta1.element.bwnjournal-article-appv132n4p27kz