Structural, elastic, electronic and optical properties of various mineral phases of TiO₂ from first-principles calculations

By Liu Qi-Jun   Zhang Ning-Chao   Liu Fu-Sheng   Liu Zheng-Tang  

Physica Scripta, Vol. 89, Iss. 7, 2014-07 ,pp. : 75703-75716

IOP Publishing

Access to resources Recommend Favorite

Structural, electronic, optical, elastic properties and Born effective charges of monoclinic HfO₂ from first-principles calculations

By Qi-Jun Liu   Ning-Chao Zhang   Fu-Sheng Liu   Zheng-Tang Liu  

Chinese Physics B, Vol. 23, Iss. 4, 2014-04 ,pp. : 47101-47108

IOP Publishing

Access to resources Recommend Favorite

First-principles calculations of structural, electronic, and thermodynamic properties of ZnO_1−xS_x alloys

By Zafar Muhammad   Ahmed Shabbir   Shakil M.   Choudhary M. A.  

Chinese Physics B, Vol. 23, Iss. 10, 2014-10 ,pp. : 106108-106114

IOP Publishing

Access to resources Recommend Favorite

Mechanical, electronic, and thermodynamic properties of zirconium carbide from first-principles calculations

By  

Chinese Physics B, Vol. 24, Iss. 11, 2015-11 ,pp. : 116301-116306

IOP Publishing

Access to resources Recommend Favorite

First-principles calculations of structural and thermodynamic properties of BeB 2 compound

By Yan-Ju Wang   Jia-Jin Tan   Yong-Liang Wang   Xiang-Rong Chen  

Chinese Physics, Vol. 16, Iss. 10, 2007-10 ,pp. : 3046-3051

IOP Publishing

Access to resources Recommend Favorite