Relation between the kernel polynomial method and the bond-order potential

2010 ◽  
Vol 81 (7) ◽  
Author(s):  
T. Qin
Keyword(s):  
Bond Order ◽  
Polynomial Method ◽  
Bond Order Potential ◽  
Kernel Polynomial Method

The largest angle generalization of the rotating bond order potential: Three different atom reactions

1998 ◽  
Vol 108 (10) ◽  
pp. 3886-3896 ◽  
Author(s):  
A. Laganà ◽  
G. Ochoa de Aspuru ◽  
E. Garcia
Keyword(s):  
Bond Order ◽  
Bond Order Potential

Modeling of metal–oxide semiconductor: Analytical bond-order potential for cupric oxide

2014 ◽  
Vol 23 (4) ◽  
pp. 047103
Author(s):  
Kun Li ◽  
Wen Yang ◽  
Ji-Lin Wei ◽  
Shi-Wen Du ◽  
Yong-Tang Li
Keyword(s):  
Metal Oxide ◽  
Bond Order ◽  
Cupric Oxide ◽  
Metal Oxide Semiconductor ◽  
Oxide Semiconductor ◽  
Bond Order Potential

scholarly journals Electronic Properties of Twisted Bilayer Graphene in the Presence of a Magnetic Field

2020 ◽  
Vol 233 ◽  
pp. 03004
Author(s):  
M.F.C. Martins Quintela ◽  
J.C.C. Guerra ◽  
S.M. João
Keyword(s):  
Magnetic Field ◽  
Electronic Properties ◽  
Twist Angle ◽  
Bilayer Graphene ◽  
Polynomial Method ◽  
Zero Energy ◽  
Energy Bands ◽  
Optical And Electronic Properties ◽  
Twisted Bilayer Graphene ◽  
Kernel Polynomial Method

In AA-stacked twisted bilayer graphene, the lower energy bands become completely flat when the twist angle passes through certain specific values: the so-called “magic angles”. The Dirac peak appears at zero energy due to the flattening of these bands when the twist angle is sufficiently small [1-3]. When a constant perpendicular magnetic field is applied, Landau levels start appearing as expected [5]. We used the Kernel Polynomial Method (KPM) [6] as implemented in KITE [7] to study the optical and electronic properties of these systems. The aim of this work is to analyze how the features of these quantities change with the twist angle in the presence of an uniform magnetic field.

scholarly journals Analytical interatomic bond-order potential for simulations of oxygen defects in iron

2019 ◽  
Vol 31 (21) ◽  
pp. 215401
Author(s):  
J Byggmästar ◽  
M Nagel ◽  
K Albe ◽  
K O E Henriksson ◽  
K Nordlund
Keyword(s):  
Bond Order ◽  
Interatomic Bond ◽  
Oxygen Defects ◽  
Bond Order Potential

scholarly journals An Analytical Bond Order Potential for Mg−H Systems

ChemPhysChem ◽  
2019 ◽  
Vol 20 (10) ◽  
pp. 1404-1411
Author(s):  
Xiaowang Zhou ◽  
Shinyoung Kang ◽  
Tae Wook Heo ◽  
Brandon C. Wood ◽  
Vitalie Stavila ◽  
...  
Keyword(s):  
Bond Order ◽  
Bond Order Potential

Analytic bond-order potential expansion of recursion-based methods

2013 ◽  
Vol 87 (9) ◽  
Author(s):  
Bernhard Seiser ◽  
D. G. Pettifor ◽  
Ralf Drautz
Keyword(s):  
Bond Order ◽  
Bond Order Potential
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