Energy Spectra and Electric and Magnetic Properties of 1D Stacks of Conjugated π-Electron Systems with Defect Surface States. I. π Systems with Tamm Surface States

2008 ◽  
Vol 112 (16) ◽  
pp. 6232-6239 ◽  
Author(s):  
N. Tyutyulkov ◽  
N. Drebov ◽  
K. Müllen ◽  
A. Staykov ◽  
F. Dietz
2018 ◽  
Vol 30 (46) ◽  
pp. 465503
Author(s):  
Xin-Zhong Yan ◽  
C S Ting

2014 ◽  
Vol 1015 ◽  
pp. 377-380
Author(s):  
Tao Chen ◽  
Ying Chen ◽  
Yin Zhou ◽  
Hong Chen

Using the first-principles calculations within density functional theory (DFT), we investigated the electronic and magnetic properties of (100) surface of inverse Heusler alloy Mn2CoSb with five different terminations. Our work reveals that the surface Mn atom moves to vacuum while surface Co atom moves to slab. Moreover, duo to the reason that the surface atom lost half of the nearest atoms with respect to the bulk phase, resulting in the decrease of hybridization, the atom-resolved spin magnetic moments of surface atoms are enhanced. Further investigation on DOS and PDOS showed that half-metallicity was preserved only in SbSb-termination while was destroyed in MnCo-, MnSb-, MnMn-, and CoCo-termination due to the appearance of surface states.


1990 ◽  
Vol 65 (12) ◽  
pp. 1470-1473 ◽  
Author(s):  
Michael Aizenman ◽  
Elliott H. Lieb

1994 ◽  
Vol 3 (4) ◽  
pp. 803-815 ◽  
Author(s):  
Galia Madjarova ◽  
Martin Baumgarten ◽  
Klaus Müllen ◽  
Nikolai Tyutyulkov

Sign in / Sign up

Export Citation Format

Share Document