Theoretical Stoichiometry and Surface States of a Semi-Heusler Alloy

Magnetism and Half-Metallicity in (100) Surface of Inverse Heusler Mn2CoSb

Advanced Materials Research ◽

10.4028/www.scientific.net/amr.1015.377 ◽

2014 ◽

Vol 1015 ◽

pp. 377-380

Author(s):

Tao Chen ◽

Ying Chen ◽

Yin Zhou ◽

Hong Chen

Keyword(s):

Density Functional Theory ◽

Magnetic Properties ◽

First Principles ◽

Heusler Alloy ◽

Density Functional ◽

Magnetic Moments ◽

Surface States ◽

First Principles Calculations ◽

Half Metallicity ◽

Functional Theory

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.

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Weak Antilocalization and Quantum Oscillations of Surface States in Topologically Nontrivial DyPdBi(110)Half Heusler alloy

Scientific Reports ◽

10.1038/s41598-018-28382-1 ◽

2018 ◽

Vol 8 (1) ◽

Cited By ~ 8

Author(s):

Vishal Bhardwaj ◽

Satyendra Prakash Pal ◽

Lajos K. Varga ◽

Monika Tomar ◽

Vinay Gupta ◽

...

Keyword(s):

Heusler Alloy ◽

Surface States ◽

Weak Antilocalization ◽

Quantum Oscillations

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Zero-loss omega-filtered REM and RHEED on the new Zeiss 912

Proceedings, annual meeting, Electron Microscopy Society of America ◽

10.1017/s0424820100087392 ◽

1991 ◽

Vol 49 ◽

pp. 616-617

Author(s):

J.C.H. Spence ◽

J. Mayer

Keyword(s):

Electron Microscopy ◽

Materials Science ◽

Surface States ◽

Ccd Camera ◽

Dark Field ◽

Ion Pump ◽

Magnetic Imaging ◽

Reflection Electron Microscopy ◽

Diffraction Patterns ◽

Large Background

The Zeiss 912 is a new fully digital, side-entry, 120 Kv TEM/STEM instrument for materials science, fitted with an omega magnetic imaging energy filter. Pumping is by turbopump and ion pump. The magnetic imaging filter allows energy-filtered images or diffraction patterns to be recorded without scanning using efficient parallel (area) detection. The energy loss intensity distribution may also be displayed on the screen, and recorded by scanning it over the PMT supplied. If a CCD camera is fitted and suitable new software developed, “parallel ELS” recording results. For large fields of view, filtered images can be recorded much more efficiently than by Scanning Reflection Electron Microscopy, and the large background of inelastic scattering removed. We have therefore evaluated the 912 for REM and RHEED applications. Causes of streaking and resonance in RHEED patterns are being studied, and a more quantitative analysis of CBRED patterns may be possible. Dark field band-gap REM imaging of surface states may also be possible.

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