Three-Dimensional Topological Insulators: The Case of Inverse Heusler Compound Lu2FePb

2014 ◽  
Vol 926-930 ◽  
pp. 440-443
Author(s):  
Ning Ding ◽  
Xi Feng Liu ◽  
Xiao Tian Wang ◽  
Wen Yuan
Keyword(s):  
Function Theory ◽  
Three Dimensional ◽  
Density Function Theory ◽  
Full Potential ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Wave Method ◽  
Heusler Compound ◽  
Plane Wave Method ◽  
Band Inversion

Using the full-potential linerized augumented plane-wave method based on the density function theory, we theoretically predict the Heusler compound Lu2FePb is a new three-dimensional topological insulator system. We also point out that the spin-orbit coupling is not the leading cause but an account can add further fuel to the band inversion.

scholarly journals Engineering Topological Nodal Line Semimetals in Rashba Spin-Orbit Coupled Atomic Chains

2019 ◽  
Vol 4 (1) ◽  
pp. 25 ◽  
Author(s):  
Paola Gentile ◽  
Vittorio Benvenuto ◽  
Carmine Ortix ◽  
Canio Noce ◽  
Mario Cuoco
Keyword(s):  
Three Dimensional ◽  
Nodal Line ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Atomic Chain ◽  
Nodal Lines ◽  
Rashba Spin ◽  
Charge Potential ◽  
Atomic Chains ◽  
Two Phases

In this paper, we study an atomic chain in the presence of modulated charge potential and modulated Rashba spin-orbit coupling (RSOC) of equal periods. We show that for commensurate periodicities, λ = 4 n with integer n, the three-dimensional synthetic space obtained by sliding the two phases of the charge potential and RSOC features a topological nodal-line semimetal protected by an anti-unitary particle-hole symmetry. The location and shape of the nodal lines strongly depend on the relative amplitude between the charge potential and RSOC.

scholarly journals 5f Delocalization of Bulk FCC Americium and the (111) Surface: A FP-LAPW Electronic Structure Study

2005 ◽  
Vol 893 ◽  
Author(s):  
Da Gao ◽  
Asok K Ray
Keyword(s):  
Electronic Properties ◽  
Local Density ◽  
Structure Study ◽  
Orbit Coupling ◽  
Full Potential ◽  
Spin Orbit Coupling ◽  
Spin Orbit ◽  
Generalized Gradient ◽  
Quantum Size ◽  
Ferromagnetic Ground State

AbstractThe electronic properties of bulk fcc americium and the (111) surface have been investigated with the full-potential linearized augmented plane wave (FP-LAPW) method as implemented in the WIEN2K suite of programs The study is carried out for the anti-ferromagnetic ground state of Am at different levels of theory: (1) scalar-relativity vs. full-relativity; (2) local-density approximation (LDA) vs. generalized-gradient approximation (GGA). Our results indicate that spin orbit coupling plays an important role in determining the electronic properties of both bulk fcc americium and the (111) surface. In general, LDA is found to give a higher total energy compared to GGA results. The spin orbit coupling shows a similar effect on the surface calculations regardless of the model, GGA versus LDA. The 5f localized-delocalized transition of americium is employed to explain our results. In addition, the quantum size effects in the surface energies and the work functions of fcc (111) americium ultra thin films (UTF) are also examined.

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