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Curso Taller: “The Interpretation Of XPS and XAS Spectra: A Short Course”

abril 16 @ 11:00 am - abril 27 @ 1:00 pm UTC+0

“The Interpretation Of XPS and XAS Spectra: A Short Course”

Paul S. Bagus

Center for Advanced Scientific Computing and Modeling,

Department of Chemistry, University of North Texas,

Denton, Texas 76203-5017


X-Ray Photoelectron Spectroscopy (XPS) and X-Ray Adsorption spectroscopy (XAS,NEXAFS).


  1. Overall Objective – Explain XPS & Other Spectroscopies

          Stress Terms Relevant To Chemical & Physical Properties

          Do Not Stress Mathematics – Cannot Avoid Completely


  1. Relate XPS To Origins In Material & Chemical Properties

          Spectroscopies Give Insights Into Properties

          Theory and Measurements Must Be Combined


  1. Representative Topics

          Multiplets & Oxidation States – “Highly Correlated Systems”

          Inequivalent Atoms Have Different XPS

          Chemical Insight From This


  1. Good Reference: Bagus et al. Surf. Sci. Rept. 68, 273 (2013)


The above includes an outline of

  1. Multiplets and Angular Momentum Coupling

          Fundamental To Many Spectroscopies When There Are Open Shells

          XPS of Oxides & Other Catalytically Interesting Systems


  1. Effective Charges & Covalency

          Are Nominal Oxidation states “Real”

          This is important beyond XPS and XAS!


  1. Basic Concepts of XPS

          Features of Spectra – What is Measured & What Can Be Learned

          Attach Scientific Meaning To Specialized Terms – “Screening”

          Initial & Final State Effects


4, One Electron Features


  1. Many Electron Features

          Multiplets and Frustrated Auger Configurations, FAC’s


  1. XAS – X-Ray Adsorption spectroscopy (NEXAFS)




Lugar: Instituto de Física de la UNAM, 16-27 abril 2018.

 Horario: 16, 19, 20, 23, 25, y 27 de enero 11:00-13:00.

 Patrocinadores: Instituto de Física y posiblemente otras dependencias

de la UNAM

 Requisitos académicos: Mecánica Cuántica básica.

 Audiencia: estudiantes, académicos, especialistas de la industria, etc.

 Cuota: ganas de aprender (gratuito, por supuesto).


abril 16 @ 11:00 am
abril 27 @ 1:00 pm
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