@inproceedings {449,
	title = {Piezoelectric tensor of AlN calculated by the Berry phase approach implemented in Quantum ESPRESSO},
	booktitle = {Proceedings of the 36th Samahang Pisika ng Pilipinas Physics Conference},
	year = {2018},
	month = {6{\textendash}9 June 2018},
	pages = {SPP-2018-PB-12},
	address = {Puerto Princesa City, Philippines},
	abstract = {<p>The proper piezoelectric tensor of AlN was determined using the changes of the Berry phases in response to axial and shear strains in the linear regime. Phases arose from the variation of the wavevector of the Bloch states. Calculations were done in the Quantum ESPRESSO software package using Vanderbilt{\textquoteright}s formulation of the proper piezoelectric tensor. The maximum longitudinal piezoelectric modulus |eij|<sub>max</sub> coefficient of 1.461 C/m<sup>2</sup> was found when both the change in the Berry phase and strain were along the c-axis.</p>},
	url = {https://paperview.spp-online.org/proceedings/article/view/SPP-2018-PB-12},
	author = {Paul Daniel S. Ang and Francis N. C. Paraan}
}
@inproceedings {ang,
	title = {Linear elastic and piezoelectric response of BaNiO3 to strain},
	booktitle = {Proceedings of the 35th Samahang Pisika ng Pilipinas Physics Conference},
	year = {2017},
	month = {7{\textendash}10 June 2017},
	pages = {SPP-2017-PB-36},
	address = {Cebu City, Philippines},
	abstract = {Preliminary ab initio calculations were done in Quantum ESPRESSO to obtain the piezoelectric coefficients of BaNiO3 by computing the stress and polarization induced by strain. The linear elastic response to strain was investigated under the six deformation modes to obtain full elastic stiffness tensor. A linear polarization response was found using the Berry-phase method. These results would be utilized in future work to calculate the piezoelectric coefficients of BaNiO3 and other perovskites.},
	url = {http://paperview.spp-online.org/proceedings/article/view/209},
	author = {Paul Daniel S. Ang and Francis N. C. Paraan}
}
@inproceedings {310,
	title = {Parallelization benchmarks of plane wave self-consistent field calculations on an IBM BlueGene supercomputer},
	booktitle = {Proceedings of the 34th Samahang Pisika ng Pilipinas Physics Congress},
	year = {2016},
	month = {18{\textendash}21 Aug 2016},
	pages = {SPP-2016-PB-19},
	address = {University of the Philippines Visayas, Iloilo City},
	abstract = {A plane wave self-consistent field calculation was parallelized over two node cards of an IBM BlueGene/P supercomputer. A maximum speedup of 9x was measured in Virtual Node execution mode. The observed performance improvements are consistent with Amdahl{\textquoteright}s law for an algorithm that is approximately 89\% parallelizable.},
	author = {Paul Daniel S. Ang and Lean Louiel A Peria and Joshua Gregor A Dizon and Francis N. C. Paraan}
}
@inproceedings {331,
	title = {Piezomagnetic properties and band structure of Mn3GaN calculated using density functional theory},
	booktitle = {Proceedings of the 34th Samahang Pisika ng Pilipinas Physics Congress},
	year = {2016},
	month = {18{\textendash}21 Aug 2016},
	pages = {SPP-2016-3A-06},
	address = {University of the Philippines Visayas, Iloilo City},
	abstract = {The antiperovskite Mn3GaN in the Γ-5g configuration has a noncollinear magnetic ordering and exhibits the piezomagnetic effect. This study aims to replicate previous ab initio studies of Mn3GaN. Magnetic moments are allowed to relax after applying various amounts of strain. Results show that the total magnetization varies linearly with strain up to {\textpm}2\%. The observed response of the magnetization was stronger for negative strain than for positive strain. Calculations reveal that this net magnetization arises from the strain-induced rotation of the local magnetic moments associated with each Mn atom. In addition, numerical calculations of the band structure and density of states of Mn3GaN are presented.},
	author = {Lean Louiel A Peria and Paul Daniel S. Ang and Francis N. C. Paraan}
}
