Electronic and magnetic properties of interfaces of Ni with Ag/Cu/Au substrates using augmented space formalism

Parida, Priyadarshini; Ganguli, Biplab

doi:10.1016/j.tsf.2015.09.054

Cited by 2 publications

(2 citation statements)

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“…Augmented space formalism [13][14][15][16] is a suitable technique to deal with binary disordered alloys, and this formalism has been applied successfully to rough surface and alloyed interfaces. [12,[17][18][19] To deal with the first principle calculation, ASF is combined with the TB-LMTO method. The Hamiltonian in TB-LMTO basis [20] is…”

Section: Methodsmentioning

confidence: 99%

“…In our calculations, we used Luchini and Nex terminator. [24] ASF has been successfully extended to study the properties of almost smooth surfaces and sharp interfaces in the limiting case when roughness is negligible, [12,[17][18][19] by using Viswanath and Müller [25,26] terminator. In our calculations, we used eight-shell augmented space calculation and nine steps of recursion.…”

Section: Methodsmentioning

confidence: 99%

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Electronic and magnetic properties at rough alloyed interfaces of Fe/Co on Au substrates: An augmented space study

Parida¹,

Ganguli²

2016

Chinese Phys. B

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We studied the interface electronic and magnetic properties of Fe/Co deposited on Au substrate and researched the effects of roughness at the interfaces within augmented space formalism (ASF). The full calculation is carried out by recursion and tight-binding linear muffin tin orbital (TB-LMTO) methods. The amount of roughness is different at different atomic layers. The formalism is also applied to sharp interface, when interdiffusion of atoms is negligible. Our results of one monolayer transition metal agree with other reported results. A realistic rough interface is also modeled with three and four monolayers of transition metals, deposited on Au substrates.

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