Article ID Journal Published Year Pages File Type
7989184 Intermetallics 2013 5 Pages PDF
Abstract
► Structure and properties of CunGe32-m-nTe32 were studied by ab initio calculations. ► Formation energies of CunGe32-m-nTe32 were calculated according to synthesis routes. ► It is energetically most favorable to dope Cu in defective Ge32-mTe32. ► Cu has slight effect on the structure property and chemical bonding of Ge32-mTe32. ► Cu may decrease (increase) the electrical resistivity of Ge32-mTe32 (ideal GeTe).
Related Topics
Physical Sciences and Engineering Materials Science Metals and Alloys
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