Pressure-induced suppression of Jahn–Teller distortions and enhanced electronic properties in high-entropy oxide (Mg0.2Ni0.2Co0.2Zn0.2Cu0.2)O

2021 ◽  
Vol 119 (15) ◽  
pp. 151901
Author(s):  
Jiejuan Yan ◽  
Lingkong Zhang ◽  
Junxiu Liu ◽  
Nana Li ◽  
Nobumichi Tamura ◽  
...  
Keyword(s):  
Electronic Properties ◽  
High Entropy ◽  
Jahn Teller

scholarly journals Change of electronic properties on transition from high-entropy to Ni-rich (TiZrNbCu)1−xNi alloys

2020 ◽  
Vol 531 ◽  
pp. 119865
Author(s):  
Marko Kuveždić ◽  
Emil Tafra ◽  
Mario Basletić ◽  
Ramir Ristić ◽  
Petar Pervan ◽  
...  
Keyword(s):  
Electronic Properties ◽  
High Entropy

Jahn-Teller analysis of the electronic properties of the endohedral clusters M@Al12 (M = B, Al, Ga) and their anions

2012 ◽  
Author(s):  
J. J. Castro ◽  
J. R. Soto ◽  
B. Molina ◽  
Agustín Conde-Gallardo ◽  
Eloy Ayón-Beato ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Jahn Teller ◽  
Endohedral Clusters

scholarly journals Structural correlations in $Cs_2CuCl_4$: Pressure dependence of electronic structures

2019 ◽  
Vol 11 ◽  
pp. 110004
Author(s):  
Enrique Jara ◽  
Jose Antonio Barreda-Argüeso ◽  
Jesus Antonio González ◽  
Rafael Valiente ◽  
Fernando Rodriguez
Keyword(s):  
High Pressure ◽  
Electronic Properties ◽  
Structural Information ◽  
Charge Transfer Band ◽  
Complete Characterization ◽  
High Pressure Phase ◽  
Optical Absorption Spectroscopy ◽  
Band Shift ◽  
Jahn Teller ◽  
Pressure Phase

We have investigated the crystal structure of $Cs_2CuCl_4$ in the 0-20 GPa range as a function of pressure and how pressure affects its electronic properties by means of optical absorption spectroscopy. In particular, we focused on the electronic properties in the low-pressure Pnma phase, which are mainly related to the tetrahedral $CuCl_4^{2-}$ units distorted by the Jahn-Teller effect. This study provides a complete characterization of the electronic structure of $Cs_2CuCl_4$ in the Pmna phase as a function of the cell volume and the $Cu-Cl$ bond length, $R_{Cu-Cl}$. Interestingly, the opposite shift of the charge-transfer band-gap and the $Cu^{2+}$ d-d crystal-field band shift with pressure are responsible for the strong piezochromism of $Cs_2CuCl_4$. We have also explored the high-pressure structure of $Cs_2CuCl_4$ above 4.9 GPa yielding structural transformations that are probably associated with a change of coordination around $Cu^{2+}$. Since the high-pressure phase appears largely amorphized, any structural information from X-ray diffraction is ruled out. We use electronic probes to get structural information of the high-pressure phase. Edited by: A. Goñi, A. Cantarero, J. S. Reparaz

Structural, mechanical and electronic properties of (TaNbHfTiZr)C high entropy carbide under pressure: Ab initio investigation

2018 ◽  
Vol 550 ◽  
pp. 163-170 ◽  
Author(s):  
Yan Yang ◽  
Wei Wang ◽  
Guo-Yong Gan ◽  
Xue-Feng Shi ◽  
Bi-Yu Tang
Keyword(s):  
Ab Initio ◽  
Electronic Properties ◽  
High Entropy
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