electron localization
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2021 ◽  
Vol 65 (3) ◽  
Author(s):  
JiaoLong Zeng ◽  
Cheng Gao ◽  
PengFei Liu ◽  
YongJun Li ◽  
CongSen Meng ◽  
...  

Author(s):  
Xin Chen ◽  
Baohua Wang ◽  
Tongxin Ge ◽  
Haoming Wei ◽  
Bingqiang Cao

Abstract The effect of epitaxial stress on Jahn-Teller distortion in epitaxial LaMnO3 (LMO) films has been investigated. Both 2θ-ω scans and reciprocal space maps indicate that LMO samples are subjected to compressive stress. Obvious Laue oscillations can be detected in 2θ-ω scans, indicating the high quality of samples. Reciprocal space maps of symmetry peak (001) and asymmetry peak (-103) imply different epitaxial stress for LMO films deposited on different substrates. Raman spectra measurements reveal that the degree of Jahn-Teller distortion can be well tuned via the epitaxial stress which may further influence on the electron localization in the films. This study might benefit to understanding the correlation between crystalline structure and electrical transport properties of LMO films and related LMO-based superlattices.


Symmetry ◽  
2021 ◽  
Vol 13 (12) ◽  
pp. 2245
Author(s):  
Udai Prakash Tyagi ◽  
Kakoli Bera ◽  
Partha Goswami

We study a strong f-electron localization effect on the surface state of a generic topological Kondo insulator (TKI) system by performing a mean-field theoretic (MFT) calculation within the framework of the periodic Anderson model (PAM) using the slave boson technique. The surface metallicity, together with bulk insulation, requires this type of localization. A key distinction between surface states in a conventional insulator and a topological insulator is that, along a course joining two time-reversal invariant momenta (TRIM) in the same BZ, there will be an intersection of these surface states, an even/odd number of times, with the Fermi energy inside the spectral gap. For an even (odd) number of surface state crossings, the surface states are topologically trivial (non-trivial). The symmetry consideration and the pictorial representation of the surface band structure obtained here show an odd number of crossings, leading to the conclusion that, at least within the PAM framework, the generic system is a strong topological insulator.


Author(s):  
Xiaohui Sun ◽  
Yongxiao Tuo ◽  
Chenliang Ye ◽  
Chen Chen ◽  
Qing Lu ◽  
...  

2021 ◽  
Author(s):  
Xiaohui Sun ◽  
Yongxiao Tuo ◽  
Chenliang Ye ◽  
Chen Chen ◽  
Qing Lu ◽  
...  

2021 ◽  
Author(s):  
Prutthipong Tsuppayakorn-aek ◽  
Thipok Bovornratanaraks ◽  
Wei Luo ◽  
Rajeev Ahuja ◽  
Thiti Bovornratanaraks

Abstract We predict an allotrope of yttrium with an incommensurate host-guest structure by using ab initio random structure searching technique, based on first-principles calculation. Along with, we propose a set analogous commensurate supercells, which is incommensurate ratio (c H /c G), by approximating the different the number of guest atoms in channels in along c axis of the host structure. Herein, our results show that c H /c G = 5/4 is energetically stable. Subsequently, an incommensurate host-guest structure is found to be thermodynamically and dynamically stable within harmonic level. The hybridization of spd explains the stability of the host-guest structure under high pressure conditions. The distributions of electrons between the host and guest atoms are indicated strong and weak electron localization of spd bonds. This findings suggest that the host-guest structure is more likely to be achieved experimentally in this metallic element at moderate pressure.


2021 ◽  
Vol 7 (37) ◽  
Author(s):  
Conrad H. Stansbury ◽  
M. Iqbal Bakti Utama ◽  
Claudia G. Fatuzzo ◽  
Emma C. Regan ◽  
Danqing Wang ◽  
...  

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