Recent progress on the characterization of the high-pressure behaviour of AVO4 orthovanadates
D Errandonea, AB Garg - Progress in Materials Science, 2018 - Elsevier
AVO 4 orthovanadates are materials of fundamental and technological importance due to
the large variety of functional properties exhibited by them. These materials have potential …
the large variety of functional properties exhibited by them. These materials have potential …
Disproportionation of at High Pressure and Temperature
Materials once suffered at high-pressure and high-temperature (HPHT) conditions often
exhibit exotic phenomena that defy conventional wisdom. The behaviors of sulfur dioxide …
exhibit exotic phenomena that defy conventional wisdom. The behaviors of sulfur dioxide …
Understanding the Pressure Effect on the Elastic, Electronic, Vibrational, and Bonding Properties of the CeScO3 Perovskite
T Ouahrani, FZ Medjdoub, S Gueddida… - The Journal of …, 2020 - ACS Publications
CeScO3 is a promising perovskite-type material that presents the characteristic to remain
highly stable upon compression, contrary to other perovskite compounds that often undergo …
highly stable upon compression, contrary to other perovskite compounds that often undergo …
Comparative Study of the Compressibility of M3V2O8 (M = Cd, Zn, Mg, Ni) Orthovanadates
D Díaz-Anichtchenko, D Errandonea - Crystals, 2022 - mdpi.com
We report herein a theoretical study of the high-pressure compressibility of Cd3V2O8,
Zn3V2O8, Mg3V2O8, and Ni3V2O8. For Cd3V2O8, we also present a study of its structural …
Zn3V2O8, Mg3V2O8, and Ni3V2O8. For Cd3V2O8, we also present a study of its structural …
High-pressure structural, lattice dynamics, and electronic properties of beryllium aluminate studied from first-principles theory
The present work reports the complete study of structural, vibrational, mechanical, and
electronic properties of BeAl 2 O 4 (known as Chrysoberyl) using first-principles computing …
electronic properties of BeAl 2 O 4 (known as Chrysoberyl) using first-principles computing …
Structural characterization of aurophilic gold (I) iodide under high pressure
V Monteseguro, D Errandonea, SN Achary… - Inorganic …, 2019 - ACS Publications
The effects of pressure on the crystal structure of aurophilic tetragonal gold iodide have
been studied by means of powder X-ray diffraction up to 13.5 GPa. We found evidence of the …
been studied by means of powder X-ray diffraction up to 13.5 GPa. We found evidence of the …
First-principles investigation of the physical properties of XSb2O6 (X= Ca, Sr, Ba) and YAs2O6 (Y= Mn, Co)
S Berri - Computational Condensed Matter, 2020 - Elsevier
The electronic structure and some of its derived properties of XSb 2 O 6 (X= Ca, Sr, Ba) and
YAs 2 O 6 (Y= Mn, Co) compounds have been investigated. The calculations have been …
YAs 2 O 6 (Y= Mn, Co) compounds have been investigated. The calculations have been …
Dynamic shock wave induced order-disorder type phase transition of sodium nitrate single crystal
In this letter, we demonstrate the dynamic shock wave induced order-disorder type phase
transition exhibited by sodium nitrate single crystal and the results have been evaluated by …
transition exhibited by sodium nitrate single crystal and the results have been evaluated by …
Pressure Impact on the Stability and Distortion of the Crystal Structure of CeScO3
D Errandonea, D Santamaria-Perez… - Inorganic …, 2017 - ACS Publications
The effects of high pressure on the crystal structure of orthorhombic (Pnma) perovskite-type
cerium scandate were studied in situ under high pressure by means of synchrotron X-ray …
cerium scandate were studied in situ under high pressure by means of synchrotron X-ray …
Determination of the high-pressure domain of stability of BeSiO 3 and characterization of its crystal structure and properties
Using density-functional theory calculations, we determined the pressure domain of stability
of beryllium metasilicate, BeSiO3, an elusive compound for which no stable polymorph is …
of beryllium metasilicate, BeSiO3, an elusive compound for which no stable polymorph is …