137 With the rapid development of advanced technologies, the demands for the design of components and the production of new materials which are strong, stiff and ductile are increasing. Stable materials responding these requirements are the inter-metallic compounds (Kart et al. 2008). They have structural properties which differ greatly from constituent metals. Cu-based inter-metallics have motivated the strong interest in their fundamental properties as they have received considerable attention due to their promising use as catalysts in many technologically important areas and future technology. MATERIALS AND METHODS All the systems considered are studied using Tight Binding Linear Muffin-Tin Orbitals Atomic Sphere Approximation (TB-LMTO-ASA). All results are derived from self-consistent calculations based on density- functional theory in the local-density approximation (LDA) (Hohenberg & Kohn, 1964). Throughout the calculation we use the exchange-correlation potential of von Barth and Hedin (Barth & Hedin, 1972). The crystal potential is constructed of over-lapping Wigner- Seitz spheres for each atom in the unit cell. According to the spirit of the tight-binding Linear muffin-tin Orbital method with atomic sphere approximation (TB-LMTO- ASA) procedure, only the energetically higher-lying valence states have been included in the self-consistent calculations of the effective crystal potentiall (Skriver, 1984; Aschroft & Mermin, 1976; Mizutani, 2001). The deeper lying core states are treated as atomic like in the inner states, so called frozen core approximation. The calculations were iterated to self-consistency with an error in total energy less that 10 -6 Rydberg. INTRODUCTION The main basis for understanding materials ultimately rests upon understanding their electronic structure (Martin, 2004). The cohesive, electronic, optical, magnetic and super-conducting properties of solids are dominated by the behavior of valence electrons moving in the field of the ion-core of constituent atoms. The development of electronic structure calculations has taken place in several steps. The Tight-Binding Linear Muffin-Tin Orbital method with Atomic Sphere Approximation (TB- LMTO-ASA) (Skriver, 1984; Andersen, 1975; Andersen et al., 1984) is one of the frequently used technique to deal with the electronic properties; especially band structure and density of states of the solids (Kaphle et al. 2012, Andersen, 1984; Ganguly et al. 2011 ). In the present work we have used TB-LMTO-ASA method to study the electronic and magnetic properties of different alloys of Copper (Cu), Palladium (Pd) and Platinum (Pt) i.e., CuPd, CuPt, Cu 3 Pd & Cu 3 Pt. The homogeneous mixture of two or more metals or of metallic elements with non metallic elements is called alloy. If there is a mixture of only two types of atoms, it is called binary alloy. Binary alloys may be ordered or disordered depending upon atomic positions (Ashcroft & Mermin, 1976; Kittel, 1966). If the atoms are situated by making symmetry in the crystals then they are called ordered alloys and if the atoms are situated randomly in the crystals so that they fail to have crystal symmetry then they are called disordered alloys. Metals and alloys are materials of great scientific as well as practical importance. Study of Electronic and Magnetic Properties of CuPd, CuPt, Cu 3 Pd and Cu 3 Pt: Tight Binding Linear Muffin-Tin Orbitals Approach Shiva Dahal, Gyanu Kafle, Gopi Chandra Kaphle and Narayan Prasad Adhikari* Central Department of Physics Tribhuvan University, Kirtipur, Kathmandu, Nepal *Email:npadhikri@tucdp.edu.np; npadhikari@gmail.com ABSTRACT Electronic structure of ordered alloys CuPd, CuPt, Cu 3 Pd and Cu 3 Pt have been studied using Tight Binding Linear Muffin-Tin Orbitals Atomic Sphere Approximation (TB-LMTO-ASA). For the electronic properties, we have performed band structure calculations. Our findings show that all the systems considered are metallic in nature. To know the contribution of the orbitals in the bands, the system is analyzed via fat bands which reveal most of the contributions on valence band for CuPd, CuPt, Cu 3 Pd and Cu 3 Pt is from d-orbital and on conduction band is from s and p-orbitals. We have also checked the magnetic properties of the alloys. The density of states for spin up and spin down electrons have found to be same in each and every steps, showing non-magnetic nature of CuPd, CuPt, Cu 3 Pd and Cu 3 Pt. Key words: Band structure, TB-LMTO-ASA, Alloys, Density functional theory Journal of Institute of Science and Technology, 2014, 19(1): 137-144, © Institute of Science and Technology, T.U.