First-principles study of structural, electronic and optical properties of ZnF₂

By Jian-Bang Wu   Xin-Lu Cheng   Hong Zhang   Zheng-Wei Xiong  

Chinese Physics B, Vol. 23, Iss. 7, 2014-07 ,pp. : 77102-77108

IOP Publishing

Access to resources Recommend Favorite

Structural, Electronic and Optical Properties of KTa_0.5Nb_0.5O₃ Surface: A First-Principles Study

By Hong-Guo Sun   Zhong-Xiang Zhou   Cheng-Xun Yuan   Wen-Long Yang   He Wang  

Chinese Physics Letters, Vol. 29, Iss. 1, 2012-01 ,pp. : 17303-17306

IOP Publishing

Access to resources Recommend Favorite

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

Structural stabilities, elastic, and electronic properties of iridium mononitride: a first-principles study

By Rached H.   Rached D.   Khenata R.   Benalia S.   Rabah M.   Semari F.   Righi H.  

Phase Transitions: A Multinational Journal, Vol. 84, Iss. 3, 2011-03 ,pp. : 269-283

Taylor & Francis Ltd

Access to resources Recommend Favorite