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Ab Initio ◽  
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Ab Initio ◽  
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Thermodynamic properties and lattice dynamics investigation of LuB2C: experiment and ab initio calculations

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V. V. Novikov ◽  
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Thermodynamic Properties ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
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The phonon dispersion and phonon density of states of LuB2C (Pbam) show the absence of negative phonon frequencies, i.e. this system is dynamically stable.

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Ab Initio Calculations ◽  
Ab Initio ◽  
Vibrational Spectra ◽  
Lattice Dynamics

Ab initio calculations of phonon dispersion and lattice dynamics in TlGaTe2

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Vol 12 (6) ◽  
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Raul Paucar ◽  
Oktay Alekperov ◽  
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Ab Initio ◽  
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Ab initio calculations of the lattice dynamics of silver halides

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Ab Initio ◽  
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Vol 180 ◽  
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Ab Initio Calculations ◽  
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