All Outputs (24)

Optoelectronic properties ofTa3N5: A joint theoretical and experimental study (2014)
Journal Article
Morbec, J. M., Narkeviciute, I., Jaramillo, T. F., & Galli, G. (2014). Optoelectronic properties ofTa3N5: A joint theoretical and experimental study. Physical review B: Condensed matter and materials physics, https://doi.org/10.1103/PhysRevB.90.155204

A joint theoretical and experimental study of the optoelectronic properties of Ta3N5 was conducted by means of ab initio calculations and ellipsometry measurements. Previous experimental work on Ta3N5 has not been conclusive regarding the direct or i... Read More about Optoelectronic properties ofTa3N5: A joint theoretical and experimental study.

Role of vacancies in the magnetic and electronic properties of SiC nanoribbons: A nab initio study (2013)
Journal Article
Morbec, J. M., & Rahman, G. (2013). Role of vacancies in the magnetic and electronic properties of SiC nanoribbons: A nab initio study. Physical review B: Condensed matter and materials physics, https://doi.org/10.1103/physrevb.87.115428

Using ab initio calculations based on density functional theory, we investigate the effects of vacancies on the electronic and magnetic properties of zigzag SiC nanoribbons (Z-SiCNR). Single (V C and V Si ) and double (V Si V Si and V Si V C) vacanc... Read More about Role of vacancies in the magnetic and electronic properties of SiC nanoribbons: A nab initio study.

Intrinsic magnetism in nanosheets of SnO2: A first-principles study (2013)
Journal Article
Abreu Da Silva Morbec. (2013). Intrinsic magnetism in nanosheets of SnO2: A first-principles study. Journal of Magnetism and Magnetic Materials, 104 -108. https://doi.org/10.1016/j.jmmm.2012.10.017

We propose intrinsic magnetism in nanosheets of SnO2, based on first-principles calculations. The electronic structure and spin density reveal that p orbitals of the oxygen atoms, surrounding Sn vacancies, have a non-itinerant nature which gives birt... Read More about Intrinsic magnetism in nanosheets of SnO2: A first-principles study.

Boron and nitrogen impurities in SiC nanoribbons: anab initioinvestigation (2011)
Journal Article
Abreu Da Silva Morbec. (2011). Boron and nitrogen impurities in SiC nanoribbons: anab initioinvestigation. Journal of Physics: Condensed Matter, 205504 - 205504. https://doi.org/10.1088/0953-8984/23/20/205504

Using ab initio calculations based on density-functional theory we have performed a theoretical investigation of substitutional boron and nitrogen impurities in silicon carbide (SiC) nanoribbons. We have considered hydrogen terminated SiC ribbons wit... Read More about Boron and nitrogen impurities in SiC nanoribbons: anab initioinvestigation.