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Electronic and magnetic properties of a full-Heusler alloy Co2CrGe: a first-principles study
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نویسنده
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Rai D P ,Shankar A ,Sandeep . ,Ghimire M P ,Thapa R K
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منبع
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journal of theoretical and applied physics - 2013 - دوره : 7 - شماره : 1 - صفحه:1 -6
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چکیده
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The structural, electronic, and magnetic properties of co2crge, a heusler alloy, have been evaluated by firstprinciples density functional theory and compared with the known experimental and theoretical results. generalized gradient approximation is used for structural study, whereas local spin density approximation is used for electronic calculation. first-principles structure optimizations were done through total energy calculations at 0 k using the full-potential linearized augmented plane wave method as implemented in the wien2k code.
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کلیدواژه
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GGA ,half metallicity ,DOS ,band structure
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آدرس
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Mizoram University, Department of Physics, India, Mizoram University, Department of Physics, India, Mizoram University, Department of Physics, India, National Institute for Materials Sciences, Japan, Mizoram University, Department of Physics, India
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Authors
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