Banca de QUALIFICAÇÃO: MATHAUS HENRIQUE DA SILVA ALVES

Uma banca de QUALIFICAÇÃO de MESTRADO foi cadastrada pelo programa.
DISCENTE: MATHAUS HENRIQUE DA SILVA ALVES
DATA: 08/12/2021
HORA: 14:00
LOCAL: on line - Google Meet
TÍTULO:

Research of the Structural, Electronic, and Mechanical Properties of New Palladium Based Sulfosalts Under High Pressure

PALAVRAS-CHAVES:

Computation simulation. mechanics properties. electronic properties. Highpressure.

PÁGINAS: 46
GRANDE ÁREA: Ciências Exatas e da Terra
ÁREA: Física
RESUMO:

The pressure is a fundamental thermodynamic variable that can be used to modification the properties of materials, because it reduces the interatomic distances, modifies the electronic orbitals and the connection patterns of the sample. Therefore, it is a versatile tool for the creation of exotic materials not accessible in environmental conditions. Recently, high pressure experimental techniques developed have led to the synthesis of new functional materials with excellent performance: for example, superconductors, super hard materials and high energy density materials. Some of these advances were aided and accelerated by computer simulations, an important tool for the search for crystalline structures and the characterization of physical properties. Thus, this work seeks to investigate the structural, electronic and mechanical properties of new Palladium based Sulfosalts under the influence of high pressure, through simulation by first principles methods using the Quantum Espresso, in order to determine its functionalities that can be useful in application the electronic devices.

MEMBROS DA BANCA:
Externo ao Programa - CLEBER PAULO ANDRADA ANCONI - DQI/ICN (Membro)
Presidente - CLEVERSON FILGUEIRAS (Membro)
Interno - ROBSON ANDRE ARMINDO (Membro)
Interno - RODRIGO SANTOS BUFALO (Suplente)