Well known three-dimensional TIs such as Bi$_2$Te$_3$, Bi$_2$Se$_3$, Bi$_2$Te$_2$Se, Sb$_2$Te$_2$Se, have been the subject of research due to potential application for spintronic devices. TIs have large bulk band gap and metallic surface states at the special time-reversal-invariant momentum (TRIM) points of the Brillouin zone. These fascinating properties constitute the current carry along the surface and not conduct current through the bulk. Creating heterostructures of TIs has recently been demonstrated to be advantageous for controlling electronic properties. In addition to the importance of the electronic properties of materials, thermodynamic stability is the key for manufacturability of materials. Guided by cluster expansion, we have investigated the thermodynamic stability of TI interfaces.
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Authors
Demet Usanmaz
Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA
Pinku Nath
Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA
Jose J. Plata
Department of Mechanical Engineering and Materials Science, Duke University, Durham, North Carolina 27708, USA
Duke University, MEMS Department
Gus L.W. Hart
Brigham Young Univ - Provo
Department of Physics and Astronomy Brigham Young University
Brigham Young University, Provo UT
Department of Physics and Astronomy, Brigham Young University Provo
Department of Physics and Astronomy, Brigham Young University, Provo, UT 84602
Brigham Young University
Marco B. Nardelli
Department of Physics and Department of Chemistry, University of North Texas, Denton, Texas 76203, USA
Stefano Curtarolo
Duke University
Duke University, Durham NC
Materials Science, Electrical Engineering, Physics, and Chemistry, Duke University, Durham, North Carolina 27708, USA
