We study the ground state property of the one-dimensional Bose–Hubbard model using an imaginary time evolving body decimation algorithm.The single-particle density matrix is numerically calculated for a Mott insulati...We study the ground state property of the one-dimensional Bose–Hubbard model using an imaginary time evolving body decimation algorithm.The single-particle density matrix is numerically calculated for a Mott insulating system and a superfluid system separately.By plotting the chemical potential versus the filling n=N/L for U/J=20 and U/J=0.1,we identify the Mott gap for U/J=20 in filling n=1.Lastly,we investigate the occupation number of the Bloch state with quasimomentum for a system deep in the Mott phase and in the superfluid phase respectively.The results indicate Bose condensation in the quasimomentum space.展开更多
We present a study on the Jahn–Teller(JT)distortions of the TiO_(6),NiO_(6)and MnO_(6)complexes in NaTiO_(2),NaNiO_(2)and NaMnO_(2)triangular compounds with a C_(2)/m structure.The JT vibronic normal modes are found ...We present a study on the Jahn–Teller(JT)distortions of the TiO_(6),NiO_(6)and MnO_(6)complexes in NaTiO_(2),NaNiO_(2)and NaMnO_(2)triangular compounds with a C_(2)/m structure.The JT vibronic normal modes are found to be Q3,Q'4 and Q6 by the group symmetry on the C2/m structure.The magnitude of the normal coordinates(Q3,Q'4,Q6)and the structural parameters of distorted octahedra MO_(6)(M=Ti,Ni,Mn)are obtained and in good agreement with experimental data.The energy level splitting of 3d orbitals and the highest occupied molecular orbital(HOMO)character in the MO_(6)complex are also calculated in accordance with the JT distortions.These results provide a first insight into the groundstate and magnetic properties of distorted triangular compounds AMO_(2).展开更多
基金Supported by the National Natural Science Foundation of China under Grant No 11174100.
文摘We study the ground state property of the one-dimensional Bose–Hubbard model using an imaginary time evolving body decimation algorithm.The single-particle density matrix is numerically calculated for a Mott insulating system and a superfluid system separately.By plotting the chemical potential versus the filling n=N/L for U/J=20 and U/J=0.1,we identify the Mott gap for U/J=20 in filling n=1.Lastly,we investigate the occupation number of the Bloch state with quasimomentum for a system deep in the Mott phase and in the superfluid phase respectively.The results indicate Bose condensation in the quasimomentum space.
基金by the National Natural Science Foundation of China under Grant No 10874186the Knowledge Innovation Project of the Chinese Academy of Sciences.
文摘We present a study on the Jahn–Teller(JT)distortions of the TiO_(6),NiO_(6)and MnO_(6)complexes in NaTiO_(2),NaNiO_(2)and NaMnO_(2)triangular compounds with a C_(2)/m structure.The JT vibronic normal modes are found to be Q3,Q'4 and Q6 by the group symmetry on the C2/m structure.The magnitude of the normal coordinates(Q3,Q'4,Q6)and the structural parameters of distorted octahedra MO_(6)(M=Ti,Ni,Mn)are obtained and in good agreement with experimental data.The energy level splitting of 3d orbitals and the highest occupied molecular orbital(HOMO)character in the MO_(6)complex are also calculated in accordance with the JT distortions.These results provide a first insight into the groundstate and magnetic properties of distorted triangular compounds AMO_(2).
