Behavior of localized states in double twisted ABC trilayer graphene

被引:6
作者
Riffo, Felipe Perez [1 ]
Vizcaya, Sanber [1 ]
Menendez-Proupin, E. [2 ]
Florez, Juan M. [1 ]
Chico, Leonor [3 ]
Morell, Eric Suarez [1 ,2 ]
机构
[1] Univ Tecn Federico Santa Maria, Dept Fis, Grp Simulac, Casilla 110-V, Valparaiso, Chile
[2] Univ Seville, Escuela Politecn Super, Dept Fis Aplicada 1, E-41011 Seville, Spain
[3] Univ Complutense Madrid, Fac Ciencias Fis, Dept Fis Mat, GISC, Madrid 28040, Spain
关键词
Graphene; Trilayers; Twistronic; Localized states; TOTAL-ENERGY CALCULATIONS; TUNABLE BAND-GAP; SUPERCONDUCTIVITY; FIELD;
D O I
10.1016/j.carbon.2024.118952
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We show that a double -twisted ABC trilayer graphene, formed by stacking two ABC trilayers with a rotation angle between them, is a semiconductor with a gap of about 30 meV. Importantly, flat bands in the electronic structure are observed even for large angles, and the localization of electrons follows the same pattern as in ABC trilayer graphene. Our first -principles calculations show that this behavior holds at least for rotation angles from 7 to 21 degrees. We further study the charge redistribution as a function of the angle. Below two degrees, the charge escapes from the rotated layers and AA zones, moving to the outer layers. This behavior is general for any ABA trilayer with one of the outer layers twisted (ABT). Our findings shed light on some peculiarities of rotated graphene, explaining the absence of a superconductivity phase on these double-trilayer and ABT systems.
引用
收藏
页数:9
相关论文
共 57 条
[1]   Gabedit-A Graphical User Interface for Computational Chemistry Softwares [J].
Allouche, Abdul-Rahman .
JOURNAL OF COMPUTATIONAL CHEMISTRY, 2011, 32 (01) :174-182
[2]  
[Anonymous], 2005, J. Appl. Crystallogr., DOI [DOI 10.1107/S0021889804031528, 10.1107/S0021889804031528]
[3]   Dependence of band structures on stacking and field in layered graphene [J].
Aoki, Masato ;
Amawashi, Hiroshi .
SOLID STATE COMMUNICATIONS, 2007, 142 (03) :123-127
[4]   Universality of moir? physics in collapsed chiral carbon nanotubes [J].
Arroyo-Gascon, Olga ;
Fernandez-Perea, Ricardo ;
Morell, Eric Suarez ;
Cabrillo, Carlos ;
Chico, Leonor .
CARBON, 2023, 205 :394-401
[5]   One-Dimensional Moire Superlattices and Flat Bands in Collapsed Chiral Carbon Nanotubes [J].
Arroyo-Gascon, Olga ;
Fernandez-Perea, Ricardo ;
Suarez Morell, Eric ;
Cabrillo, Carlos ;
Chico, Leonor .
NANO LETTERS, 2020, 20 (10) :7588-7593
[6]  
Bethe H., 1929, Annalen der Physik, V395, P133
[7]   Moire bands in twisted double-layer graphene [J].
Bistritzer, Rafi ;
MacDonald, Allan H. .
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 2011, 108 (30) :12233-12237
[8]   IMPROVED TETRAHEDRON METHOD FOR BRILLOUIN-ZONE INTEGRATIONS [J].
BLOCHL, PE ;
JEPSEN, O ;
ANDERSEN, OK .
PHYSICAL REVIEW B, 1994, 49 (23) :16223-16233
[9]   A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons [J].
Brenner, DW ;
Shenderova, OA ;
Harrison, JA ;
Stuart, SJ ;
Ni, B ;
Sinnott, SB .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (04) :783-802
[10]   Tunable correlated states and spin-polarized phases in twisted bilayer-bilayer graphene [J].
Cao, Yuan ;
Rodan-Legrain, Daniel ;
Rubies-Bigorda, Oriol ;
Park, Jeong Min ;
Watanabe, Kenji ;
Taniguchi, Takashi ;
Jarillo-Herrero, Pablo .
NATURE, 2020, 583 (7815) :215-+