Theoretical calculations of spin-Hamiltonian parameters for the square planer CuCl42− cluster in Cs2ZrCl6 crystal

2015 ◽  
Vol 465 ◽  
pp. 13-15 ◽  
Author(s):  
Gang Liu ◽  
Yang Mei ◽  
Xin-Xin Zhang ◽  
Wen-Chen Zheng
Keyword(s):  
Theoretical Calculations ◽  
Spin Hamiltonian ◽  
Hamiltonian Parameters

scholarly journals Identification of the Negative Carbon Vacancy at Quasi-Cubic Site in 4H-SiC by EPR and Theoretical Calculations

2014 ◽  
Vol 778-780 ◽  
pp. 285-288
Author(s):  
Xuan Thang Trinh ◽  
Krisztián Szász ◽  
Tamas Hornos ◽  
Koutarou Kawahara ◽  
Jun Suda ◽  
...  
Keyword(s):  
Room Temperature ◽  
Defect Formation ◽  
Theoretical Calculations ◽  
Low Energy ◽  
Spin Hamiltonian ◽  
Epr Spectrum ◽  
Paramagnetic Resonance ◽  
Carbon Vacancy ◽  
Hamiltonian Parameters ◽  
Electron Paramagnetic

In freestandingn-type 4H-SiC epilayers irradiated with low-energy (250 keV) electrons at room temperature, the electron paramagnetic resonance (EPR) spectrum of the negative carbon vacancy at the hexagonal site, VC- (h), and a new signal were observed. From the similarity in defect formation and the spin-Hamiltonian parameters of the two defects, the new center is suggested to be the negative C vacancy at the quasi-cubic site, VC- (k). The identification is further supported by hyperfine calculations.

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