scholarly journals A Brief Study on Energy in Itinerant-Electron Metamagnetic Materials at Very Low Temperature

1997 ◽  
Vol 20 (2) ◽  
pp. 91-94
Author(s):  
M. A. Grado-Caffaro ◽  
M. Grado-Caffaro

Electronic energy is calculated explicitly for itinerant-electron metamagnetic materials at very low temperature. This calculation involves bandwidth and consequently volume, and it has been performed by means of an elliptic density of states. Moreover, total energy is considered.

1994 ◽  
Vol 17 (3) ◽  
pp. 177-178 ◽  
Author(s):  
M. A. Grado Caffaro ◽  
M. Grado Caffaro

Electronic energy in the context of itinerant-electron metamagnetism is considered in a new way. In particular, the minimal value of this energy is calculated within the Stoner model. To get this end, an elliptic density of states is used.


1980 ◽  
Vol 41 (C5) ◽  
pp. C5-177-C5-180
Author(s):  
J. Flouquet ◽  
P. Haen ◽  
F. Holtzberg ◽  
F. Lapierre ◽  
J. M. Mignot ◽  
...  

1990 ◽  
Vol 55 (4) ◽  
pp. 890-895
Author(s):  
Rudolf Zahradník ◽  
B. Andes Hess

HFO and HClO (fluorosyl and chlorosyl hydrides) and isomeric molecules HOF and HOCl (hypofluorous and hypochlorous acids) have been studied theoretically. On the basis of nonempiracal quantum chemical calculations (MP2, MP4 and CCD/6-311G**) geometry, energy and vibrational characteristics are analyzed and it is concluded that there is a poor chance to observe formation of HFO. Possibly, bombardment of HF in a solid matrix by 16O could lead at very low temperature to HFO.


Solar RRL ◽  
2021 ◽  
pp. 2100108
Author(s):  
Shih-Chi Yang ◽  
Jordi Sastre ◽  
Maximilian Krause ◽  
Xiaoxiao Sun ◽  
Ramis Hertwig ◽  
...  

Author(s):  
Shubha Dubey ◽  
Gitanjali Pagare ◽  
Ekta Jain ◽  
Sankar P. Sanyal

The structural properties and electronic properties of the intermetallic compound ErPb3 which crystallize in AuCu3 type structure (AB3) are studied by means of first principles total energy calculation using full potential linearized plane wave method (FP-LAPW) within the generalized gradient approximation of Perdew, Burke and Ernzrhof (PBE) and local spin density approximation (LSDA) for the exchange correlation functional and including spin magnetic calculation. The total energy is computed as a function of volume and fitted to the Birch-Murnaghan equation of state. The ground state properties of this compound such as equilibrium lattice parameter (a0), bulk modulus (B), and its pressure derivative (B’) are calculated and compared with the available experimental results. We find good agreement with the other theoretical and experimental results. For the compounds, the values of lattice constants obtained by PBE-GGA overestimates and by LSDA underestimates the available experimental values for the same, which verifies the reliability of the present calculation. The value obtained for the bulk modulus is 50.63 GPa. The analysis of electronic properties is achieved by the calculation of the band structures and the density of states in both the spin up and spin down modes, which show a metallic character of ErPB3 due to zero band gap. The values of calculated density of states are found to be 0.36 eV/states and 11.46 eV/states in spin-up and spin-down mode respectively. The calculated magnetic moment (μm) of ErPb3 is 2.06.


2015 ◽  
Vol 115 (4) ◽  
Author(s):  
M. Taupin ◽  
G. Knebel ◽  
T. D. Matsuda ◽  
G. Lapertot ◽  
Y. Machida ◽  
...  

1996 ◽  
Vol 76 (13) ◽  
pp. 2334-2337 ◽  
Author(s):  
J. Etrillard ◽  
J. C. Lasjaunias ◽  
K. Biljakovic ◽  
B. Toudic ◽  
G. Coddens

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