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Pregled bibliografske jedinice broj: 516253

Structural and electronic properties and phonons of platinum nitrides by density functional theory

Prafulla, Jha K.; Sanjay, Gupta D.; Sanjeev, Gupta K.; Kirin, Davor
Structural and electronic properties and phonons of platinum nitrides by density functional theory // International journal of modern physics B, 25 (2011), 11; 1543-1551 doi:10.1142/S0217979211100382 (međunarodna recenzija, članak, znanstveni)

CROSBI ID: 516253 Za ispravke kontaktirajte CROSBI podršku putem web obrasca

Naslov
Structural and electronic properties and phonons of platinum nitrides by density functional theory

Autori
Prafulla, Jha K. ; Sanjay, Gupta D. ; Sanjeev, Gupta K. ; Kirin, Davor

Izvornik
International journal of modern physics B (0217-9792) 25 (2011), 11; 1543-1551

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
Density functional theory; noble metal nitride; electronic structure; phonons

Sažetak
Using first principles calculations, we provide here a unified study of structural and electronic properties along with frequency of phonon modes at some high-symmetry points of the Brillouin zone for the noble metal nitride platinum nitride (PtN) by using PWSCF code. Our calculations are performed for two phases viz. zincblende and rocksalt. The present study predicts the zincblende structure as the most probable crystal structure out of two, besides it being metallic. The calculated structural and electronic properties and zone centre phonon modes are in good agreement with the experimental and other calculated data.

Izvorni jezik
Engleski

Znanstvena područja
Fizika



POVEZANOST RADA

Projekti:
098-0982904-2898 - Fizika i primjena nanostruktura i volumne tvari (Ivanda, Mile, MZOS ) ( CroRIS)

Ustanove:
Institut "Ruđer Bošković", Zagreb

Profili:

Avatar Url Davor Kirin (autor)

Poveznice na cjeloviti tekst rada:

doi ejournals.worldscientific.com.sg

Citiraj ovu publikaciju:

Prafulla, Jha K.; Sanjay, Gupta D.; Sanjeev, Gupta K.; Kirin, Davor
Structural and electronic properties and phonons of platinum nitrides by density functional theory // International journal of modern physics B, 25 (2011), 11; 1543-1551 doi:10.1142/S0217979211100382 (međunarodna recenzija, članak, znanstveni)
Prafulla, J., Sanjay, G., Sanjeev, G. & Kirin, D. (2011) Structural and electronic properties and phonons of platinum nitrides by density functional theory. International journal of modern physics B, 25 (11), 1543-1551 doi:10.1142/S0217979211100382.
@article{article, author = {Prafulla, Jha K. and Sanjay, Gupta D. and Sanjeev, Gupta K. and Kirin, Davor}, year = {2011}, pages = {1543-1551}, DOI = {10.1142/S0217979211100382}, keywords = {Density functional theory, noble metal nitride, electronic structure, phonons}, journal = {International journal of modern physics B}, doi = {10.1142/S0217979211100382}, volume = {25}, number = {11}, issn = {0217-9792}, title = {Structural and electronic properties and phonons of platinum nitrides by density functional theory}, keyword = {Density functional theory, noble metal nitride, electronic structure, phonons} }
@article{article, author = {Prafulla, Jha K. and Sanjay, Gupta D. and Sanjeev, Gupta K. and Kirin, Davor}, year = {2011}, pages = {1543-1551}, DOI = {10.1142/S0217979211100382}, keywords = {Density functional theory, noble metal nitride, electronic structure, phonons}, journal = {International journal of modern physics B}, doi = {10.1142/S0217979211100382}, volume = {25}, number = {11}, issn = {0217-9792}, title = {Structural and electronic properties and phonons of platinum nitrides by density functional theory}, keyword = {Density functional theory, noble metal nitride, electronic structure, phonons} }

Časopis indeksira:


  • Current Contents Connect (CCC)
  • Web of Science Core Collection (WoSCC)
    • Science Citation Index Expanded (SCI-EXP)
    • SCI-EXP, SSCI i/ili A&HCI
  • Scopus

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  • CA Search (Chemical Abstracts)

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