The Electronic Structure and Optical Properties of Anatase TiO₂ with Rare Earth Metal Dopants from First-Principles Calculations

By Xie Kefeng   Jia Qiangqiang   Wang Yizhe   Zhang Wenxue   Xu Jingcheng  

Materials, Vol. 11, Iss. 2, 2018-01 ,pp. : 179-179

MDPI

Access to resources Recommend Favorite

First-Principles Calculations on Electronic Structures of N/F-Doped and N-F-Codoped TiO₂ Anatase (101) Surfaces

By CHEN Qi-Li   TANG Chao-Qun  

Acta Physico-Chimica Sinica, Vol. 25, Iss. 5, 2009-05 ,pp. : 915-920

Editorial Office, Spectroscopy and Spectral Analysis

Access to resources Recommend Favorite

A First-Principles Investigation of the Electronic Structure and the Chemical Bonding for CaFe 2 P 2 and CaNi 2 P 2

By Gustenau E.   Herzig P.   Neckel A.  

Journal of Solid State Chemistry, Vol. 129, Iss. 1, 1997-02 ,pp. : 147-156

Academic Press

Access to resources Recommend Favorite

Analysis of the spin exchange interactions of ferromagnetic CdVO 3 in terms of first principles and qualitative electronic structure calculations

By Dai D.   Koo H.-J.   Whangbo M.-H.  

Journal of Solid State Chemistry, Vol. 175, Iss. 2, 2003-11 ,pp. : 341-347

Elsevier

Access to resources Recommend Favorite

DFT calculations on the electronic structure of CuTe 2 and Cu 7 Te 4

By Matar S.F.   Weihrich R.   Kurowski D.   Pfitzner A.  

Solid State Sciences, Vol. 6, Iss. 1, 2004-01 ,pp. : 15-20

Elsevier

Access to resources Recommend Favorite