Structural Phase Transitions Induced by a Pseudo-Jahn-Teller Effect

1973 ◽  
Vol 7 (2) ◽  
pp. 894-897 ◽  
Author(s):  
B. Halperin
1992 ◽  
Vol 291 ◽  
Author(s):  
Michael D. Kaplan

ABSTRACTA microscopic mechanism for the structural phase transition from the orthorhombic mediate temperature (OMT) phase into the low temperature tetragonal (LTT) one is suggested on the basis of the cooperative pseudo Jahn-Teller effect. The local distortions mixing the ground and the first excited electronic states are ordered antiferrodistortively and are connected in part, with the oxygen octahedra rotations around the [100] axis. The results are in agreement, with the neutron scattering experiments data.


2011 ◽  
Vol 1310 ◽  
Author(s):  
Mikhail A. Zagrebin ◽  
Vasiliy D. Buchelnikov ◽  
Sergey V. Taskaev ◽  
Natal’ya Yu. Fedulova

ABSTRACTIn this work a microscopic Hamiltonian is investigated using the Hubbard model for a ferromagnet with two degenerate bands, taking into account the Jahn-Teller effect. A macroscopic free energy is obtained from the microscopic Hubbard Hamiltonian. All free energy coefficients depend on microscopic parameters: temperature T and composition x. As a result of analytical minimization of free energy, phase diagrams are numerically constructed. It is shown that at certain values of parameters on the phase diagrams there are thermodynamic paths which correspond to experimentally observed sequences of phase transitions. Using density of states spectra for different compositions x the T-x phase diagram is numerically constructed. This phase diagram can theoretically explain experimentally observed behavior of the temperatures of phase transitions.


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