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First-principles calculations of the electronic structure and pressure-induced magnetic transition in siderite FeCO
3
H. Shi
*
, W. Luo, B. Johansson, R. Ahuja
*
此作品的通讯作者
Uppsala University
KTH Royal Institute of Technology
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3
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Chemistry
Bulk Modulus
25%
Charge Density
25%
Density Functional Theory
25%
Density of State
25%
Electron Delocalization
25%
Electronic State
100%
First Principle
100%
Generalized Gradient Approximation
100%
Magnetic Transition
100%
Velocity of Sound
25%
Young's Modulus
25%
Physics
Acoustic Velocity
25%
Density Functional Theory
25%
Density of States
25%
Electronic Structure
100%
First Principle
100%
Generalized Gradient Approximation
100%
Young's Modulus
25%
Material Science
Density
100%
Elastic Moduli
33%
Electronic Structure
100%
Young's Modulus
33%