Tight-binding modelling of materials
CM Goringe, DR Bowler… - Reports on Progress in …, 1997 - iopscience.iop.org
The tight-binding method of modelling materials lies between the very accurate, very
expensive, ab initio methods and the fast but limited empirical methods. When compared …
expensive, ab initio methods and the fast but limited empirical methods. When compared …
[图书][B] Electronic structure of materials
R Prasad - 2013 - books.google.com
Most textbooks in the field are either too advanced for students or don't adequately cover
current research topics. Bridging this gap, Electronic Structure of Materials helps advanced …
current research topics. Bridging this gap, Electronic Structure of Materials helps advanced …
Generalized augmented-space theorem for correlated disorder and the cluster-coherent-potential approximation
A Mookerjee, R Prasad - Physical Review B, 1993 - APS
We present a method for calculating the electronic structure of disordered alloys with short-
range order (SRO) which guarantees a positive density of states for all values of the SRO …
range order (SRO) which guarantees a positive density of states for all values of the SRO …
The electronic structure, and magnetic and structural properties of Fe-Cu and Fe-Ag alloys
We present the electronic structure, magnetic properties, and structural properties of
metastable and alloys over the whole composition range. Although in the equilibrium state …
metastable and alloys over the whole composition range. Although in the equilibrium state …
[图书][B] Advances in physical metallurgy
A Banerjee - 2023 - books.google.com
Advances in physical metallurgy Page 1 Advances in PHYSICAL METALLUR Edited by S.
BANERJEE RV RAMANUJAN Gordon and Breach Publishers ROUTLEDGE Page 2 Advances …
BANERJEE RV RAMANUJAN Gordon and Breach Publishers ROUTLEDGE Page 2 Advances …
Augmented-space cluster coherent potential approximation for binary random and short-range ordered alloys
M Rahaman, A Mookerjee - Physical Review B—Condensed Matter and …, 2009 - APS
We use the earlier ideas of Razee and Prasad [Phys. Rev. B 45, 3265 (1992); Phys. Rev. B
48, 1349 (1993)], Datta [Phys. Rev. B 48, 8567 (1993)], and Mookerjee and Prasad [Phys …
48, 1349 (1993)], Datta [Phys. Rev. B 48, 8567 (1993)], and Mookerjee and Prasad [Phys …
Application of augmented-space formalism to a problem of configuration averaging in the theory of unordered alloys with correlated disorder
AK Arzhnikov, AA Bagrets, DA Bagrets - Physical Review B, 1999 - APS
We present a method for calculating the electronic spectrum of a binary unordered alloy with
short-range order (SRO). The method is based on a generalization of the augmented-space …
short-range order (SRO). The method is based on a generalization of the augmented-space …
KKR Approach to Random Alloys
R Prasad - Lectures on Methods of Electronic Structure …, 1994 - World Scientific
The methods of electronic structure calculations for random alloys in the Korringa-Kohn-
Rostoker (KKR) framework will be reviewed. The KKR coherent-potential approximation …
Rostoker (KKR) framework will be reviewed. The KKR coherent-potential approximation …
The coherent-potential approximation in the tight-binding linearized-muffin-tin-orbital formalism for a single-band model of a solid
A Datta, PK Thakur - Journal of Physics: Condensed Matter, 1994 - iopscience.iop.org
We have developed a model of a random alloy based on a simplified single-(s-type-) band
model of a solid introduced by Andersen to demonstrate the screening of orbitals in the …
model of a solid introduced by Andersen to demonstrate the screening of orbitals in the …
[PDF][PDF] FIRST-PRINCIPLES STUDY OF ORDERED Pt3Mn & Pd3Mn AND DISORDERED Pt1-xMnx (x= 0.50, 0.25, 0.20) & Pd1-xMnx (x= 0.10, 0.05, 0.01) ALLOYS
CM ADHIKARI - 2011 - researchgate.net
We have performed first-principles calculations to study the electronic structures and
magnetic properties of (i) three transition metals: Mn Pd and Pt (ii) two ordered alloys: Pt3Mn …
magnetic properties of (i) three transition metals: Mn Pd and Pt (ii) two ordered alloys: Pt3Mn …