First-principle calculations of Debye temperature of optoelectronic LiGaS2 and LiGaSe2 semiconductors under different pressures

S. Chandra; V. Kumar; Y. Singh

doi:10.1117/12.2506878

27 February 2019 First-principle calculations of Debye temperature of optoelectronic LiGaS₂ and LiGaSe₂ semiconductors under different pressures

S. Chandra, V. Kumar, Y. Singh

Author Affiliations +

Proceedings Volume 10914, Optical Components and Materials XVI; 109141I (2019) https://doi.org/10.1117/12.2506878
Event: SPIE OPTO, 2019, San Francisco, California, United States

Abstract

The ternary chalcogenides LiGaS₂ (LGS) and LiGaSe₂ (LGSe) are well known semiconductors and widely used for laser induced damage thresholds (LIDT), optical parametric amplification (OPA) and other nonlinear optical (NLO) devices in infra-red region. The first-principle calculations with local density approximation (LDA) are performed to calculate the Debye temperature of LiGaS₂ and LiGaSe₂ semiconductors. The values of longitudinal, transverse and average sound velocities and Debye temperature are studied at 0, 10 and 20 GPa pressures and await for experimental verification. The values of bulk modulus (B) and shear modulus (G) have also been calculated. The present study shows that LiGaS₂ and LiGaSe₂ both are stable upto 20 GPa pressure and become unstable afterwards. The estimated values of all parameters are in good agreement with the available known values at 0 GPa pressure.

Citation Download Citation

S. Chandra, V. Kumar, and Y. Singh "First-principle calculations of Debye temperature of optoelectronic LiGaS₂ and LiGaSe₂ semiconductors under different pressures", Proc. SPIE 10914, Optical Components and Materials XVI, 109141I (27 February 2019); https://doi.org/10.1117/12.2506878

ACCESS THE FULL ARTICLE

INSTITUTIONAL
Select your institution to access the SPIE Digital Library.

SELECT YOUR INSTITUTION

PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.

PERSONAL SIGN IN

No SPIE Account? Create one

PURCHASE THIS CONTENT

SUBSCRIBE TO DIGITAL LIBRARY

50 downloads per 1-year subscription

Members: $195

Non-members: $335 ADD TO CART

25 downloads per 1 - year subscription

Members: $145

Non-members: $250 ADD TO CART

PURCHASE SINGLE ARTICLE

Includes PDF, HTML & Video, when available