Spin-manipulated phonon dynamics during magnetic phase transitions in triangular lattice antiferromagnet CuCr1−xMgxO2 semiconductor films

First-principles calculations on BiFeO3 under low-pressure region show that the rhombohedral-monoclinic and rhombohedral-orthorhombic phase transitions can be found around the critical pressure value, ~9 GPa.We suggest that the structure involve the combination of these three phases and change to the pure orthorhombic phase gradually as pressure is beyond the critical value. Moreover, it is a first-order structural phase transition, accompanied with antiferromagnetic–ferromagnetic transition.

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Pressure effect on the properties of magnetic moments and phase transitions in YMnO3 from first principles

RSC Advances ◽

10.1039/c6ra08539c ◽

2016 ◽

Vol 6 (59) ◽

pp. 54041-54048 ◽

Cited By ~ 5

Author(s):

Jun-Shuai Chai ◽

Hao Tian ◽

Ai-Jie Mao ◽

Li-Juan Deng ◽

Xiao-Yu Kuang

Keyword(s):

Phase Transitions ◽

First Principles ◽

Pressure Effect ◽

Magnetic Phase ◽

Magnetic Moments ◽

Magnetic Phase Transitions ◽

First Principles Calculations ◽

Orthorhombic Perovskite

We report the properties of magnetic, electronic, phonon frequencies and magnetic phase transitions in orthorhombic perovskite YMnO3 by means of first-principles calculations.

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Biaxial strain effect on the electronic and magnetic phase transitions in double perovskite La2FeMnO6: A first-principles study

Journal of Applied Physics ◽

10.1063/1.4818321 ◽

2013 ◽

Vol 114 (6) ◽

pp. 063713 ◽

Cited By ~ 10

Author(s):

Yan Qian ◽

Haiping Wu ◽

ErJun Kan ◽

Jian Lu ◽

Ruifeng Lu ◽

...

Keyword(s):

Phase Transitions ◽

First Principles ◽

Magnetic Phase ◽

Double Perovskite ◽

Magnetic Phase Transitions ◽

Strain Effect ◽

Biaxial Strain ◽

First Principles Study

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High Pressure & High Temperature Equation of State and Magnetic Phase Transitions of Hematite from First Principles

10.1063/1.2263287 ◽

2006 ◽

Author(s):

X. Lu

Keyword(s):

High Pressure ◽

Phase Transitions ◽

High Temperature ◽

Equation Of State ◽

First Principles ◽

Magnetic Phase ◽

Magnetic Phase Transitions ◽

High Pressure High Temperature ◽

Temperature Equation

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Origin of the Giant Negative Thermal Expansion inMn3(Cu0.5Ge0.5)N

Advances in Condensed Matter Physics ◽

10.1155/2012/913168 ◽

2012 ◽

Vol 2012 ◽

pp. 1-7 ◽

Cited By ~ 5

Author(s):

B. Y. Qu ◽

H. Y. He ◽

B. C. Pan

Keyword(s):

Phase Transition ◽

Thermal Expansion ◽

Magnetic Phase Transition ◽

First Principles ◽

Magnetic Phase ◽

Lattice Vibration ◽

Negative Thermal Expansion ◽

First Principles Calculations ◽

Temperature Dependent ◽

Thermal Expansion Property

The giant negative thermal expansion in the Ge-doped antiperovskite Mn3CuN compound is theoretically studied by using the first principles calculations. We propose that such a negative thermal expansion property is essentially attributed to the magnetic phase transition, rather than to the lattice vibration of the Ge-doped compound. Furthermore, we found that the doped Ge atoms in the compound significantly enhance the antiferromagnetic couplings between the nearest neighboring Mn ions, which effectively stabilizes the magnetic ground states. In addition, the nature of the temperature-dependent changes in the volume of the Ge-doped compound was revealed.

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Studies on the interaction between two correlated electronic bands. I. Phase transition in NiS

Proceedings of the Royal Society of London Series A - Mathematical and Physical Sciences ◽

10.1098/rspa.1980.0147 ◽

1980 ◽

Vol 373 (1753) ◽

pp. 253-268 ◽

Cited By ~ 2

Keyword(s):

Phase Transition ◽

Phase Transitions ◽

Density Of States ◽

Magnetic Phase ◽

Magnetic Phase Transitions ◽

Temperature Dependent ◽

Interacting Electrons

An expression for the density of states of two electronic bands with intraand inter-band correlations has been derived. The consequences of the inter-band interaction on Mott-Hubbard split bands are discussed. The model is applied to explain the metal, semi-metal and magnetic phase transitions in NiS by using a semi-elliptical form for the density of states of non-interacting electrons. It is shown that the temperature-dependent overlap and hybridization parameters between d- and p-bands can provoke both the phase transitions in NiS as pointed out earlier by White & Mott (1971)

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