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Article
First-principle investigations of structural, electronic, thermal, and mechanical properties of AlP1−xBix alloys
In this work, a comprehensive study concerning the physical properties of ternary alloys system (AlP1−xBix) at different concentrations is presented. The obtained results from our first-principle calculations are...
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Article
DFT-Based Calculations of the Structural Stability, Electronic and Elastic Characteristics of BBi1-xSbx Ternary Ordered Alloys
The structural, phase stability, elastic and electronic properties of Sb-doped BBi have been systematically investigated in the zinc blende phase by means of the first-principle approach based on the density f...
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Article
Theoretical investigation of the structural stabilities, optoelectronic properties and thermodynamic characteristics of GaPxSb1−x ternary alloys
In this theoretical study, we have investigated the structural, phase transition, electronic, thermodynamic and optical properties of GaPxSb1−x ternary alloys. Our calculations are performed with the WIEN2k code...