scholarly journals First-principles perturbative computation of dielectric and Born charge tensors in finite electric fields

2007 ◽  
Vol 75 (11) ◽  
Author(s):  
Xinjie Wang ◽  
David Vanderbilt
Keyword(s):  
Electric Fields ◽  
First Principles

scholarly journals Interface-induced sign reversal of the anomalous Hall effect in magnetic topological insulator heterostructures

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Fei Wang ◽  
Xuepeng Wang ◽  
Yi-Fan Zhao ◽  
Di Xiao ◽  
Ling-Jie Zhou ◽  
...  
Keyword(s):  
Hall Effect ◽  
Electric Fields ◽  
First Principles ◽  
Berry Phase ◽  
Condensed Matter ◽  
Anomalous Hall Effect ◽  
First Principles Calculations ◽  
Sign Reversal ◽  
Berry Curvature ◽  
Topological Materials

AbstractThe Berry phase picture provides important insights into the electronic properties of condensed matter systems. The intrinsic anomalous Hall (AH) effect can be understood as the consequence of non-zero Berry curvature in momentum space. Here, we fabricate TI/magnetic TI heterostructures and find that the sign of the AH effect in the magnetic TI layer can be changed from being positive to negative with increasing the thickness of the top TI layer. Our first-principles calculations show that the built-in electric fields at the TI/magnetic TI interface influence the band structure of the magnetic TI layer, and thus lead to a reconstruction of the Berry curvature in the heterostructure samples. Based on the interface-induced AH effect with a negative sign in TI/V-doped TI bilayer structures, we create an artificial “topological Hall effect”-like feature in the Hall trace of the V-doped TI/TI/Cr-doped TI sandwich heterostructures. Our study provides a new route to create the Berry curvature change in magnetic topological materials that may lead to potential technological applications.

First-principles study on electronic responses of a C60 molecule to external electric fields

2007 ◽  
Vol 342 (1-3) ◽  
pp. 135-140 ◽  
Author(s):  
Shigeru Tsukamoto ◽  
Tomonobu Nakayama ◽  
Masakazu Aono
Keyword(s):  
Electric Fields ◽  
First Principles ◽  
External Electric Fields ◽  
First Principles Study

scholarly journals First-Principles Approach to Insulators in Finite Electric Fields

2002 ◽  
Vol 89 (11) ◽  
Author(s):  
Ivo Souza ◽  
Jorge Íñiguez ◽  
David Vanderbilt
Keyword(s):  
Electric Fields ◽  
First Principles

scholarly journals Built-in electric fields and valence band offsets in InN/GaN(0001) superlattices: First-principles investigations

2011 ◽  
Vol 109 (8) ◽  
pp. 083721 ◽  
Author(s):  
C. C. Shieh ◽  
X. Y. Cui ◽  
B. Delley ◽  
C. Stampfl
Keyword(s):  
Valence Band ◽  
Electric Fields ◽  
First Principles ◽  
Band Offsets
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