The study of structural phase transitions and static properties using transition metal model pseudopotential (TMMP) for Ca and Sr

2016 ◽  
Author(s):  
Shalu Rakhecha ◽  
N. K. Bhatt ◽  
P. R. Vyas ◽  
V. B. Gohel
2014 ◽  
Vol 26 (18) ◽  
pp. 2788-2788
Author(s):  
Lide Yao ◽  
Sayani Majumdar ◽  
Laura Äkäslompolo ◽  
Sampo Inkinen ◽  
Qi Hang Qin ◽  
...  

2010 ◽  
Vol 22 (22) ◽  
pp. 6171-6182 ◽  
Author(s):  
Emma E. McCabe ◽  
David G. Free ◽  
Budhika G. Mendis ◽  
Joshua S. Higgins ◽  
John S. O. Evans

2020 ◽  
Vol 5 (3) ◽  
pp. 46
Author(s):  
Alan R. Bishop

In this tribute to K Alex Müller, I describe how his early insights have influenced future decades of research on perovskite ferroelectrics and more broadly transition metal oxides (TMOs) and related quantum materials. I use his influence on my own research journey to discuss impacts in three areas: structural phase transitions, precursor structure, and quantum paraelectricity. I emphasize materials functionality in ground, metastable, and excited states arising from competitions among lattice, charge, and spin degrees of freedom, which results in highly tunable landscapes and complex networks of multiscale configurations controlling macroscopic functions. I discuss competitions between short- and long-range forces as particularly important in TMOs (and related materials classes) because of their localized and directional metal orbitals and the polarizable oxygen ions. I emphasize crucial consequences of elasticity and metal–oxygen charge transfer.


ChemInform ◽  
2011 ◽  
Vol 42 (5) ◽  
pp. no-no
Author(s):  
Emma E. McCabe ◽  
David G. Free ◽  
Budhika G. Mendis ◽  
Joshua S. Higgins ◽  
John S. O. Evans

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