scholarly journals Detailed Ab Initio First-Principles Study of the Magnetic Anisotropy in a Family of Trigonal Pyramidal Iron(II) Pyrrolide Complexes

2011 ◽  
Vol 50 (16) ◽  
pp. 7460-7477 ◽  
Author(s):  
Mihail Atanasov ◽  
Dmitry Ganyushin ◽  
Dimitrios A. Pantazis ◽  
Kantharuban Sivalingam ◽  
Frank Neese
Keyword(s):  
Magnetic Anisotropy ◽  
Ab Initio ◽  
First Principles ◽  
First Principles Study

scholarly journals Ab initio design of light absorption through silver atomic cluster decoration of TiO2

2018 ◽  
Vol 20 (28) ◽  
pp. 19110-19119 ◽  
Author(s):  
María Pilar de Lara-Castells ◽  
Carlos Cabrillo ◽  
David A. Micha ◽  
Alexander O. Mitrushchenkov ◽  
Tijo Vazhappilly
Keyword(s):  
Ab Initio ◽  
Light Absorption ◽  
First Principles ◽  
Near Infrared ◽  
Silver Clusters ◽  
Atomic Cluster ◽  
Absorption Bands ◽  
First Principles Study

This first-principles study reveals how stable subnanometer silver clusters on a TiO2(110) surface lead to the onset of absorption bands in the near-infrared and visible regions.

scholarly journals First-principles study of the Fe | MgO(0 0 1) interface: magnetic anisotropy

2016 ◽  
Vol 28 (15) ◽  
pp. 156003 ◽  
Author(s):  
Thomas Bose ◽  
Ramon Cuadrado ◽  
Richard F L Evans ◽  
Roman V Chepulskii ◽  
Dmytro Apalkov ◽  
...  
Keyword(s):  
Magnetic Anisotropy ◽  
First Principles ◽  
First Principles Study

Surface structure effect on the magnetic anisotropy of Co/Pd (001) thin film: A first principles study

2015 ◽  
Vol 589 ◽  
pp. 252-257 ◽  
Author(s):  
Minyeong Je ◽  
Heechae Choi ◽  
Yubin Hwang ◽  
Kyung-Han Yun ◽  
Yong-Chae Chung
Keyword(s):  
Thin Film ◽  
Magnetic Anisotropy ◽  
Surface Structure ◽  
First Principles ◽  
Structure Effect ◽  
First Principles Study
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