scholarly journals Performance of a modified hybrid functional in the simultaneous description of stoichiometric and reduced TiO2polymorphs

2016 ◽  
Vol 18 (17) ◽  
pp. 12357-12367 ◽  
Author(s):  
Kyoung Chul Ko ◽  
Oriol Lamiel-García ◽  
Jin Yong Lee ◽  
Francesc Illas
Keyword(s):  
Electronic Structure ◽  
Physical Properties ◽  
Hybrid Functional

A modified hybrid functional is proposed to properly describe the electronic structure and physical properties for stoichiometric and reduced TiO2polymorphs.

Electronic structure and physical properties of hybrid heterostructures Sr2CrOsO6/BaTiO3

2021 ◽  
Vol 47 (7) ◽  
pp. 565-576
Author(s):  
V. N. Antonov ◽  
L. V. Bekenov
Keyword(s):  
Electronic Structure ◽  
Physical Properties

Electronic structure, physical properties and ionic mobility of LiAg2Sn

2003 ◽  
Vol 13 (10) ◽  
pp. 2561-2565 ◽  
Author(s):  
Zhiyun Wu ◽  
Rolf-Dieter Hoffmann ◽  
Dirk Johrendt ◽  
Bernd D. Mosel ◽  
Hellmut Eckert ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Physical Properties ◽  
Ionic Mobility

Electronic structure and optical physical properties of oligothiophenes

2007 ◽  
Vol 39 (3) ◽  
pp. 673-677 ◽  
Author(s):  
Yu Sun ◽  
Yuanzuo Li ◽  
Yongqing Li ◽  
Fengcai Ma
Keyword(s):  
Electronic Structure ◽  
Physical Properties

Physical Properties and Electronic Structure of Cr 2 B Under Pressure

2020 ◽  
pp. 2000212
Author(s):  
Yongmei Zhang ◽  
Dong Liu ◽  
Yuhong Zhao ◽  
Wu Li ◽  
Yanqin Gao ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Physical Properties

scholarly journals Crystal Structure, Electronic Structure, and Physical Properties of Two New Antimonide—Tellurides: ZrSbTe and HfSbTe.

ChemInform ◽  
2007 ◽  
Vol 38 (24) ◽  
Author(s):  
Navid Soheilnia ◽  
Katja M. Kleinke ◽  
Holger Kleinke
Keyword(s):  
Crystal Structure ◽  
Electronic Structure ◽  
Physical Properties
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