Our site saves small pieces of text information (cookies) on your device in order to deliver better content and for statistical purposes. You can disable the usage of cookies by changing the settings of your browser. By browsing our site without changing the browser settings you grant us permission to store that information on your device.
A. TATAR1,* , S. AYDIN1
First-principles calculations of the crystal structure of the uranium hexaboride (UB6) have been carried out the plane-wave pseudopotential density functional theory method. The quasi-harmonic Debye model is applied to the study of the thermal and vibrational effects. The structural parameters, heat capacities, thermal expansions, Grüneisen parameters and Debye temperatures dependence on the temperature and pressure are obtained in the whole pressure range from 0 to 45 GPa and temperature range from 0 to 1000 K..
First-principles, Hexaboride, Bulk modulus, Heat capacity, Gibbs free energy.
A. TATAR, S. AYDIN, Thermodynamic properties of UB6 under high temperature and pressure, Optoelectronics and Advanced Materials - Rapid Communications, 4, 9, September 2010, pp.1342-1345 (2010).
Submitted at: Aug. 3, 2010
Accepted at: Sept. 15, 2010
Optoelectronics and Advanced Materials - Rapid Communications
(2024): Impact Factor = 0.4 - Journal Citation Reports (Clarivate Analytics, 2025)
Active accounts were imported to the new platform and assigned a random password by default. In order to access your account you need to access the login page and go through the Lost Password dialog (involves the system sending you an email with instructions) in order to reset your password. This step is necessary as passwords are kept in hashed form and the new platform uses modern hashing algorithms incompatible with the previous ones.