Showing 1–20 of 48 results
/ Date/ Name
May 25, 2009High pressure structural study of fluoro perovskite CsCdF3 upto 60 GPa: A combined experimental and theoretical studyOct 24, 2021Lattice dynamics across the ferroelastic phase transition in Ba2ZnTeO6: A Raman and first-principles studyNov 1, 2013A DFT study of structural, dynamical properties and quasiparticle band structure of solid nitromethaneNov 5, 2013Structure, elastic and dynamical properties of KN$_3$ and RbN$_3$: A van der Waals density functional studyNov 6, 2013High Pressure Study of Lithium Azide from Density-Functional CalculationsFeb 16, 2014Structural, vibrational, and quasiparticle band structure of 1, 1 - diamino-2, 2 - dinitroethelene from ab-initio calculationsJan 31, 2007Elastic constants and high-pressure structural transitions in lanthanum monochalcogenides from experiment and theorySep 28, 2015Dispersion Corrected Structural Properties and Quasiparticle Band Gaps of Several Organic Energetic SolidsMar 7, 2016Electronic topological transitions in Nb$_3$X (X = Al, Ga, In, Ge and Sn) under compression investigated by first principles calculationsJan 9, 2025Evidences for local non-centrosymmetricity and strong phonon anomaly in EuCu2As2: A Raman spectroscopy and lattice dynamics studyMay 2, 2007Sr2CrOsO6: Endpoint of a spin polarized metal-insulator transition by 5d band fillingMay 24, 2009Density functional study of elastic and vibrational properties of the Heusler-type alloys Fe$_2$VAl and Fe$_2$VGaNov 6, 2013Computational study of structural, electronic and optical properties of crystalline NH$_4$N$_3$Nov 6, 2013Electronic topological transition in LaSn$_3$ under pressureSep 2, 2016Calculated high-pressure structural properties, lattice dynamics and quasi particle band structures of perovskite fluorides KZnF 3 , CsCaF 3 and BaLiF 3Sep 2, 2016High pressure structural, elastic and vibrational properties of green energetic oxidizer ammonium dinitramideJul 14, 2004Electronic Structure of Samarium Monopnictides and MonochalcogenidesJun 16, 2005Electronic structure and X-ray magnetic circular dichroism of CrO$_2$Jul 17, 2018Ferromagnetically correlated clusters in semi-metallic Ru2NbAl Heusler alloyJun 17, 2019Structural, vibrational, and electronic properties of TlReO4 studied using a first principles approach