Toward an accurate ab initio estimation of compressibility and thermal expansion of diamond in the [0, 3000 K] temperature and [0, 30 GPa] pressures ranges, at the hybrid HF/DFT theoretical level
The isothermal bulk modulus, together with its temperature dependence, and the thermal expansion of diamond at various pressures were calculated from first principles in the [0, 30 GPa] and [0, 3000 K] pressure and temperature ranges, within the limits of the quasi-harmonic approximation (QHA). The...
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| தலைமை எழà¯à®¤à¯à®¤à®¾à®³à®°à¯à®•ளà¯: | , , , , |
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| வடிவமà¯: | Journal Article |
| வெளியீடபà¯à®ªà®Ÿà¯à®Ÿà®¤à¯: |
Mineralogical Society of America
2014
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| பகà¯à®¤à®¿à®•ளà¯: | |
| நிகழà¯à®¨à®¿à®²à¯ˆ அணà¯à®•லà¯: | http://hdl.handle.net/20.500.11937/6053 |
| கà¯à®±à®¿à®¯à¯€à®Ÿà¯à®•ளà¯: |
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